N-(cyclopentylmethylamino)-N-methylmethanethioamide

C8H16N2S — CID 57163376

IUPACN-(cyclopentylmethylamino)-N-methylmethanethioamide
SMILESCN(C=S)NCC1CCCC1
InChIInChI=1S/C8H16N2S/c1-10(7-11)9-6-8-4-2-3-5-8/h7-9H,2-6H2,1H3
InChIKeyRKIBQPJWHRMDMU-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.57
Rot. Bonds4

About N-(cyclopentylmethylamino)-N-methylmethanethioamide

N-(cyclopentylmethylamino)-N-methylmethanethioamide (PubChem CID 57163376) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-(cyclopentylmethylamino)-N-methylmethanethioamide.

Molecular Properties

Compound NameN-(cyclopentylmethylamino)-N-methylmethanethioamide
PubChem CID57163376
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-(cyclopentylmethylamino)-N-methylmethanethioamide
SMILESCN(C=S)NCC1CCCC1
InChIInChI=1S/C8H16N2S/c1-10(7-11)9-6-8-4-2-3-5-8/h7-9H,2-6H2,1H3
InChIKeyRKIBQPJWHRMDMU-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethyl)-1,1-dimethylhydrazine
CID 83003998
1-tert-butyl-2-(cyclohexylmethyl)-1-methylhydrazine
CID 129238620
1-cyclopentyl-N-methylmethanamine;molecular hydrogen
CID 142969533
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-(cyclopentylmethyl)-2,6-dimethylcyclohexan-1-amine
CID 43370923
1,3-dicyclopentyl-N,N-dimethylpropan-2-amine
CID 58122659
1-cyclohexyl-N-methoxymethanamine
CID 54238767
N'-(cyclopentylmethyl)-N-methylmethanediamine
CID 115226926
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethylamino)-N-methylmethanethioamide?
The IUPAC name of N-(cyclopentylmethylamino)-N-methylmethanethioamide (CID 57163376) is N-(cyclopentylmethylamino)-N-methylmethanethioamide.
What is the SMILES notation for N-(cyclopentylmethylamino)-N-methylmethanethioamide?
The canonical SMILES for N-(cyclopentylmethylamino)-N-methylmethanethioamide is CN(C=S)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethylamino)-N-methylmethanethioamide?
The InChIKey is RKIBQPJWHRMDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-10(7-11)9-6-8-4-2-3-5-8/h7-9H,2-6H2,1H3.
What are the key properties of N-(cyclopentylmethylamino)-N-methylmethanethioamide?
N-(cyclopentylmethylamino)-N-methylmethanethioamide has a molecular weight of 172.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethylamino)-N-methylmethanethioamide is sourced from PubChem (CID 57163376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).