N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine

C10H21NS — CID 167240637

IUPACN-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine
SMILESCNS[C@H](C)C1(C)CCCCC1
InChIInChI=1S/C10H21NS/c1-9(12-11-3)10(2)7-5-4-6-8-10/h9,11H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyPRCSTSGMYWZRNA-SECBINFHSA-N
MW187.35 g/mol
LogP3.21
Rot. Bonds3

About N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine

N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine (PubChem CID 167240637) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine
PubChem CID167240637
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine
SMILESCNS[C@H](C)C1(C)CCCCC1
InChIInChI=1S/C10H21NS/c1-9(12-11-3)10(2)7-5-4-6-8-10/h9,11H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyPRCSTSGMYWZRNA-SECBINFHSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(1-methylcyclohexyl)ethanamine
CID 130639601
N,2-dimethyl-1-(1-methylcyclopentyl)butan-1-amine
CID 105017597
1-(1-methylcyclopentyl)ethylcyclohexane
CID 91321449
1-(1-methylcyclohexyl)-2-propan-2-yloxyethanol
CID 106830958
(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
CID 69433180
N-methyl-1-(1-methylcyclohexyl)-2-propoxyethanamine
CID 106830336
1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane
CID 170111899
1-(difluoromethyl)-1-methylcyclopentane
CID 134531916
1-[chloro(propan-2-yloxy)methyl]-1-methylcyclohexane
CID 89304186
[2-methyl-1-(1-methylcyclohexyl)butyl]hydrazine
CID 106831313
2-(methylamino)-2-(1-methylcyclopentyl)acetic acid
CID 130965432
2-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 107893998

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine?
The IUPAC name of N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine (CID 167240637) is N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine.
What is the SMILES notation for N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine?
The canonical SMILES for N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine is CNS[C@H](C)C1(C)CCCCC1.
What is the InChIKey of N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine?
The InChIKey is PRCSTSGMYWZRNA-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(12-11-3)10(2)7-5-4-6-8-10/h9,11H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine?
N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine has a molecular weight of 187.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine is sourced from PubChem (CID 167240637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).