3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine

C16H28N2S2 — CID 79959004

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

About 3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine

3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine (PubChem CID 79959004) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
PubChem CID79959004
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC Name3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
SMILESCC(C)N(Cc1cccs1)C1(CN)CSCC(C)(C)C1
InChIInChI=1S/C16H28N2S2/c1-13(2)18(8-14-6-5-7-20-14)16(10-17)9-15(3,4)11-19-12-16/h5-7,13H,8-12,17H2,1-4H3
InChIKeyZNJMUDGIUVIDMU-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

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Related Compounds

1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 103562740
3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79947969
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80706068
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
1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64761981
1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 103563049
3-(aminomethyl)-N-(4-ethylphenyl)-N,5,5-trimethylthian-3-amine
CID 79958677
1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 106662989
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 79927569
[4,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexyl]methanamine
CID 65390783

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine?
The IUPAC name of 3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine (CID 79959004) is 3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine?
The canonical SMILES for 3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine is CC(C)N(Cc1cccs1)C1(CN)CSCC(C)(C)C1.
What is the InChIKey of 3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine?
The InChIKey is ZNJMUDGIUVIDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-13(2)18(8-14-6-5-7-20-14)16(10-17)9-15(3,4)11-19-12-16/h5-7,13H,8-12,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine?
3-(aminomethyl)-5,5-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)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine is sourced from PubChem (CID 79959004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).