3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile

C10H16N2S — CID 130979409

IUPAC3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NC2CCSC2)C1
InChIInChI=1S/C10H16N2S/c11-6-8-1-2-9(5-8)12-10-3-4-13-7-10/h8-10,12H,1-5,7H2
InChIKeyIHWGVQPMROIUFV-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.77
Rot. Bonds2

About 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile

3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile (PubChem CID 130979409) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile
PubChem CID130979409
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NC2CCSC2)C1
InChIInChI=1S/C10H16N2S/c11-6-8-1-2-9(5-8)12-10-3-4-13-7-10/h8-10,12H,1-5,7H2
InChIKeyIHWGVQPMROIUFV-UHFFFAOYSA-N
XLogP1.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorocyclopentyl)thiolan-3-amine
CID 130614619
3-(cyclohexylamino)cyclohexane-1-carbonitrile
CID 66872054
N-(3-methylcyclohexyl)thiolan-3-amine
CID 43317743
3-(thiolan-3-ylamino)cyclohexan-1-ol
CID 43751170
N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
CID 131110851
3-[(2-methylsulfanylcyclobutyl)amino]cyclopentane-1-carbonitrile
CID 130719396
3-(methoxyamino)cyclopentane-1-carbonitrile
CID 126997428
ethyl 3-(thiolan-3-ylamino)cyclopentane-1-carboxylate
CID 104526787
3-[(2-oxooxolan-3-yl)amino]cyclopentane-1-carbonitrile
CID 130736477
N-(4-butylcyclohexyl)thiolan-3-amine
CID 115713977
2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine
CID 104585321
N-(2-ethylcyclopropyl)thiolan-3-amine
CID 103783743

Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile (CID 130979409) is 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile is N#CC1CCC(NC2CCSC2)C1.
What is the InChIKey of 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is IHWGVQPMROIUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c11-6-8-1-2-9(5-8)12-10-3-4-13-7-10/h8-10,12H,1-5,7H2.
What are the key properties of 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile?
3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 196.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130979409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).