4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine

C16H24ClNOS — CID 97332983

IUPAC4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine
SMILESCOC[C@@H](C)NC1CCC(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNOS/c1-12(11-19-2)18-14-5-9-16(10-6-14)20-15-7-3-13(17)4-8-15/h3-4,7-8,12,14,16,18H,5-6,9-11H2,1-2H3/t12-,14?,16?/m1/s1
InChIKeyVOVFFWMNIQQVDD-XEBKBJJBSA-N
MW313.89 g/mol
LogP4.37
Rot. Bonds6

About 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine

4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine (PubChem CID 97332983) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine
PubChem CID97332983
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine
SMILESCOC[C@@H](C)NC1CCC(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClNOS/c1-12(11-19-2)18-14-5-9-16(10-6-14)20-15-7-3-13(17)4-8-15/h3-4,7-8,12,14,16,18H,5-6,9-11H2,1-2H3/t12-,14?,16?/m1/s1
InChIKeyVOVFFWMNIQQVDD-XEBKBJJBSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine with MolForge

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Related Compounds

N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
4-(1-methoxypropan-2-ylamino)cyclohexan-1-ol
CID 62535244
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105
4-(4-chlorophenyl)sulfanylcyclohexan-1-amine;hydrochloride
CID 71755883
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
CID 95368713
(2S)-2-amino-1-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propan-1-one
CID 99704053
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
methyl 3-(4-chlorophenyl)sulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79644984
N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 43758404
N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 97231228

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine (CID 97332983) is 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine is COC[C@@H](C)NC1CCC(Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine?
The InChIKey is VOVFFWMNIQQVDD-XEBKBJJBSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-12(11-19-2)18-14-5-9-16(10-6-14)20-15-7-3-13(17)4-8-15/h3-4,7-8,12,14,16,18H,5-6,9-11H2,1-2H3/t12-,14?,16?/m1/s1.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine?
4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine has a molecular weight of 313.89 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 97332983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).