1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine

C7H22N6S — CID 163942684

IUPAC1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine
SMILESCS1(CN)C(N)C(N)C(N)C(N)C1N
InChIInChI=1S/C7H22N6S/c1-14(2-8)6(12)4(10)3(9)5(11)7(14)13/h3-7H,2,8-13H2,1H3
InChIKeyRSJJTZGBROQBFX-UHFFFAOYSA-N
MW222.36 g/mol
LogP-3.10
Rot. Bonds1

About 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine

1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine (PubChem CID 163942684) has the molecular formula C7H22N6S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine.

Molecular Properties

Compound Name1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine
PubChem CID163942684
Molecular FormulaC7H22N6S
Molecular Weight222.36 g/mol
Exact Mass222.16
IUPAC Name1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine
SMILESCS1(CN)C(N)C(N)C(N)C(N)C1N
InChIInChI=1S/C7H22N6S/c1-14(2-8)6(12)4(10)3(9)5(11)7(14)13/h3-7H,2,8-13H2,1H3
InChIKeyRSJJTZGBROQBFX-UHFFFAOYSA-N
XLogP-3.10
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.36
LogP ≤ 5-3.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine?
The IUPAC name of 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine (CID 163942684) is 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine.
What is the SMILES notation for 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine?
The canonical SMILES for 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine is CS1(CN)C(N)C(N)C(N)C(N)C1N.
What is the InChIKey of 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine?
The InChIKey is RSJJTZGBROQBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H22N6S/c1-14(2-8)6(12)4(10)3(9)5(11)7(14)13/h3-7H,2,8-13H2,1H3.
What are the key properties of 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine?
1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine has a molecular weight of 222.36 g/mol, XLogP of -3.10, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-methylthiane-2,3,4,5,6-pentamine is sourced from PubChem (CID 163942684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).