(3S)-N-(3-methylbutyl)thian-3-amine

C10H21NS — CID 94885631

IUPAC(3S)-N-(3-methylbutyl)thian-3-amine
SMILESCC(C)CCN[C@H]1CCCSC1
InChIInChI=1S/C10H21NS/c1-9(2)5-6-11-10-4-3-7-12-8-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyPOTARSDVLPDECC-JTQLQIEISA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds4

About (3S)-N-(3-methylbutyl)thian-3-amine

(3S)-N-(3-methylbutyl)thian-3-amine (PubChem CID 94885631) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (3S)-N-(3-methylbutyl)thian-3-amine.

Molecular Properties

Compound Name(3S)-N-(3-methylbutyl)thian-3-amine
PubChem CID94885631
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(3S)-N-(3-methylbutyl)thian-3-amine
SMILESCC(C)CCN[C@H]1CCCSC1
InChIInChI=1S/C10H21NS/c1-9(2)5-6-11-10-4-3-7-12-8-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyPOTARSDVLPDECC-JTQLQIEISA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpentyl)thian-3-amine
CID 62871286
N-(3-phenylbutyl)thian-3-amine
CID 62988894
1-(thian-3-ylamino)propan-2-ol
CID 62873442
N-(2-cyclopentyloxyethyl)thian-3-amine
CID 63825120
N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine
CID 94885646
N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine
CID 115882230
N-propan-2-yl-2-(thian-3-ylamino)acetamide
CID 62871240
(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
CID 94887182
1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine
CID 82945113
2,2-dimethyl-4-(thian-3-ylamino)butanoic acid
CID 122084398
N'-methyl-N-(thian-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115882122
2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol
CID 94885835

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methylbutyl)thian-3-amine?
The IUPAC name of (3S)-N-(3-methylbutyl)thian-3-amine (CID 94885631) is (3S)-N-(3-methylbutyl)thian-3-amine.
What is the SMILES notation for (3S)-N-(3-methylbutyl)thian-3-amine?
The canonical SMILES for (3S)-N-(3-methylbutyl)thian-3-amine is CC(C)CCN[C@H]1CCCSC1.
What is the InChIKey of (3S)-N-(3-methylbutyl)thian-3-amine?
The InChIKey is POTARSDVLPDECC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NS/c1-9(2)5-6-11-10-4-3-7-12-8-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-N-(3-methylbutyl)thian-3-amine?
(3S)-N-(3-methylbutyl)thian-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methylbutyl)thian-3-amine is sourced from PubChem (CID 94885631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).