1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane

C23H50N2S4 — CID 160581342

IUPAC1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane
SMILESCC(CNC[C@@H]1CCC2C[C@@H]1C2(C)C)NC[C@@H]1CCC2C[C@@H]1C2(C)C.S.S.S.S
InChIInChI=1S/C23H42N2.4H2S/c1-15(25-14-17-7-9-19-11-21(17)23(19,4)5)12-24-13-16-6-8-18-10-20(16)22(18,2)3;;;;/h15-21,24-25H,6-14H2,1-5H3;4*1H2/t15?,16-,17-,18?,19?,20-,21-;;;;/m0..../s1
InChIKeyRBVASTVKHJLHKZ-HOINTPAMSA-N
MW482.94 g/mol
LogP5.15
Rot. Bonds7

About 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane

1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane (PubChem CID 160581342) has the molecular formula C23H50N2S4 and a molecular weight of 482.94 g/mol. Its IUPAC name is 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane.

Molecular Properties

Compound Name1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane
PubChem CID160581342
Molecular FormulaC23H50N2S4
Molecular Weight482.94 g/mol
Exact Mass482.29
IUPAC Name1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane
SMILESCC(CNC[C@@H]1CCC2C[C@@H]1C2(C)C)NC[C@@H]1CCC2C[C@@H]1C2(C)C.S.S.S.S
InChIInChI=1S/C23H42N2.4H2S/c1-15(25-14-17-7-9-19-11-21(17)23(19,4)5)12-24-13-16-6-8-18-10-20(16)22(18,2)3;;;;/h15-21,24-25H,6-14H2,1-5H3;4*1H2/t15?,16-,17-,18?,19?,20-,21-;;;;/m0..../s1
InChIKeyRBVASTVKHJLHKZ-HOINTPAMSA-N
XLogP5.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.94
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]ethanamine
CID 130840903
1-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-N-methylmethanamine
CID 89377744
3-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-2-methylpropanal
CID 142458496
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-N'-[(1S,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethane-1,2-diamine
CID 11573512
(1S,2S,5S)-6,6-dimethyl-2-(propan-2-yloxymethyl)bicyclo[3.1.1]heptane
CID 176736548
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 12732836
(1S,2R,5S)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;sulfane
CID 157194003
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
N'-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine
CID 22315735
2-[bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]phosphanyl]ethyl-bis[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]phosphane
CID 11115034
tris[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]borane
CID 14106757

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane?
The IUPAC name of 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane (CID 160581342) is 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane.
What is the SMILES notation for 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane?
The canonical SMILES for 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane is CC(CNC[C@@H]1CCC2C[C@@H]1C2(C)C)NC[C@@H]1CCC2C[C@@H]1C2(C)C.S.S.S.S.
What is the InChIKey of 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane?
The InChIKey is RBVASTVKHJLHKZ-HOINTPAMSA-N. The full InChI is InChI=1S/C23H42N2.4H2S/c1-15(25-14-17-7-9-19-11-21(17)23(19,4)5)12-24-13-16-6-8-18-10-20(16)22(18,2)3;;;;/h15-21,24-25H,6-14H2,1-5H3;4*1H2/t15?,16-,17-,18?,19?,20-,21-;;;;/m0..../s1.
What are the key properties of 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane?
1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane has a molecular weight of 482.94 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[[(1S,2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propane-1,2-diamine;sulfane is sourced from PubChem (CID 160581342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).