3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine

C16H28N2S2 — CID 79947969

IUPAC3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
SMILESCC(C)N(Cc1cccs1)C1(CN)CSCCC1(C)C
InChIInChI=1S/C16H28N2S2/c1-13(2)18(10-14-6-5-8-20-14)16(11-17)12-19-9-7-15(16,3)4/h5-6,8,13H,7,9-12,17H2,1-4H3
InChIKeyHXIRAENSQQBMNY-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.82
Rot. Bonds5

About 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine

3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine (PubChem CID 79947969) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
PubChem CID79947969
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC Name3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
SMILESCC(C)N(Cc1cccs1)C1(CN)CSCCC1(C)C
InChIInChI=1S/C16H28N2S2/c1-13(2)18(10-14-6-5-8-20-14)16(11-17)12-19-9-7-15(16,3)4/h5-6,8,13H,7,9-12,17H2,1-4H3
InChIKeyHXIRAENSQQBMNY-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine 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

3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79959004
3-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylthian-3-amine
CID 79948464
1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 103562740
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 61436759
1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 61452996
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,4,4-trimethylthian-3-amine
CID 79949070
1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64761981
1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 81171454
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 63142751
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine?
The IUPAC name of 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine (CID 79947969) is 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine?
The canonical SMILES for 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine is CC(C)N(Cc1cccs1)C1(CN)CSCCC1(C)C.
What is the InChIKey of 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine?
The InChIKey is HXIRAENSQQBMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-13(2)18(10-14-6-5-8-20-14)16(11-17)12-19-9-7-15(16,3)4/h5-6,8,13H,7,9-12,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine?
3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine has a molecular weight of 312.55 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine is sourced from PubChem (CID 79947969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).