trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine

C10H21NS — CID 10899390

IUPACtrans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine
SMILESCC(C)(C)S[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C10H21NS/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9H,4-7,11H2,1-3H3/t8-,9-/m1/s1
InChIKeyLJPVITVOCYXHSF-RKDXNWHRSA-N
MW187.35 g/mol
LogP2.79
Rot. Bonds1

About trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine

trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine (PubChem CID 10899390) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine
PubChem CID10899390
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nametrans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine
SMILESCC(C)(C)S[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C10H21NS/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9H,4-7,11H2,1-3H3/t8-,9-/m1/s1
InChIKeyLJPVITVOCYXHSF-RKDXNWHRSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Ethylthio)cyclohexanamine
CID 64615066
4-(Methylsulfanyl)cyclohexan-1-amine
CID 62808674
2-Aminocyclohexylsulfide
CID 68500381
trans-2-Ethylthiocyclohexylamine
CID 95773597
Ethynyl-(2-aminocyclohexyl)sulfide
CID 129823695
trans-(1R,2R)-2-cyclohexylsulfanylcyclohexan-1-amine
CID 10932796
2-(Methylsulfanyl)cyclohexan-1-amine
CID 12770089
Rac-(1r,2r)-2-(methylsulfanyl)cyclohexan-1-amine
CID 12770090
N-methyl-2-methylsulfanylcyclohexan-1-amine
CID 14615319
6-Methylthian-3-amine
CID 15084375
Ditert-butyl-(cyclohexylamino)sulfanium
CID 18982538
4-Cyclohexylsulfanylhexan-1-amine
CID 57235156

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine (CID 10899390) is trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine is CC(C)(C)S[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine?
The InChIKey is LJPVITVOCYXHSF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9H,4-7,11H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine?
trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-tert-butylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 10899390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).