N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine

C11H19NS — CID 131057670

IUPACN-(3-bicyclo[3.1.0]hexanyl)thian-3-amine
SMILESC1CSCC(NC2CC3CC3C2)C1
InChIInChI=1S/C11H19NS/c1-2-10(7-13-3-1)12-11-5-8-4-9(8)6-11/h8-12H,1-7H2
InChIKeyJMXZOTBPNAIELP-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.27
Rot. Bonds2

About N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine

N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine (PubChem CID 131057670) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)thian-3-amine
PubChem CID131057670
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)thian-3-amine
SMILESC1CSCC(NC2CC3CC3C2)C1
InChIInChI=1S/C11H19NS/c1-2-10(7-13-3-1)12-11-5-8-4-9(8)6-11/h8-12H,1-7H2
InChIKeyJMXZOTBPNAIELP-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-dioxothietan-3-yl)thian-3-amine
CID 115032985
N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine
CID 113383826
N-spiro[4.5]decan-8-ylthian-3-amine
CID 114817932
2-methyl-N-(thian-3-yl)oxan-4-amine
CID 115898568
N-(2,3-dimethylcyclobutyl)thian-3-amine
CID 130621412
N-methylthian-3-amine;hydrochloride
CID 86811695
N-(3-methylcyclohexyl)thiolan-3-amine
CID 43317743
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280
3-(thiolan-3-ylamino)cyclohexan-1-ol
CID 43751170
2-[cyclopropylmethyl-[3-(thian-3-ylamino)cyclobutyl]amino]acetic acid
CID 122041864
N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115726551
1-propylsulfonyl-N-(thian-3-yl)piperidin-4-amine
CID 62871995

Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine (CID 131057670) is N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine is C1CSCC(NC2CC3CC3C2)C1.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine?
The InChIKey is JMXZOTBPNAIELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-2-10(7-13-3-1)12-11-5-8-4-9(8)6-11/h8-12H,1-7H2.
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine?
N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine has a molecular weight of 197.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine is sourced from PubChem (CID 131057670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).