2-(methylamino)cycloheptane-1-thiol

C8H17NS — CID 59815948

IUPAC2-(methylamino)cycloheptane-1-thiol
SMILESCNC1CCCCCC1S
InChIInChI=1S/C8H17NS/c1-9-7-5-3-2-4-6-8(7)10/h7-10H,2-6H2,1H3
InChIKeyOQIXNKLUBANYNN-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.84
Rot. Bonds1

About 2-(methylamino)cycloheptane-1-thiol

2-(methylamino)cycloheptane-1-thiol (PubChem CID 59815948) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(methylamino)cycloheptane-1-thiol.

Molecular Properties

Compound Name2-(methylamino)cycloheptane-1-thiol
PubChem CID59815948
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(methylamino)cycloheptane-1-thiol
SMILESCNC1CCCCCC1S
InChIInChI=1S/C8H17NS/c1-9-7-5-3-2-4-6-8(7)10/h7-10H,2-6H2,1H3
InChIKeyOQIXNKLUBANYNN-UHFFFAOYSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine
CID 55284519
N-(2-sulfanylcyclooctyl)ethanethioamide
CID 147323967
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
CID 129406607
cis-(1R,2S)-cycloheptane-1,2-dithiol
CID 102083621
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine
CID 89035848
N-methyl-2-prop-2-ynylcycloheptan-1-amine
CID 62604959
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
CID 164886232

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)cycloheptane-1-thiol?
The IUPAC name of 2-(methylamino)cycloheptane-1-thiol (CID 59815948) is 2-(methylamino)cycloheptane-1-thiol.
What is the SMILES notation for 2-(methylamino)cycloheptane-1-thiol?
The canonical SMILES for 2-(methylamino)cycloheptane-1-thiol is CNC1CCCCCC1S.
What is the InChIKey of 2-(methylamino)cycloheptane-1-thiol?
The InChIKey is OQIXNKLUBANYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9-7-5-3-2-4-6-8(7)10/h7-10H,2-6H2,1H3.
What are the key properties of 2-(methylamino)cycloheptane-1-thiol?
2-(methylamino)cycloheptane-1-thiol has a molecular weight of 159.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)cycloheptane-1-thiol is sourced from PubChem (CID 59815948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).