1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile

C15H25N3O2S — CID 79577625

IUPAC1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H25N3O2S/c16-12-15(17-14-3-4-14)6-1-2-13(15)5-7-18-8-10-21(19,20)11-9-18/h13-14,17H,1-11H2
InChIKeyNVBOYOIEYIWMTR-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.92
Rot. Bonds5

About 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79577625) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79577625
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCCC1CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C15H25N3O2S/c16-12-15(17-14-3-4-14)6-1-2-13(15)5-7-18-8-10-21(19,20)11-9-18/h13-14,17H,1-11H2
InChIKeyNVBOYOIEYIWMTR-UHFFFAOYSA-N
XLogP0.92
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 115561403
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
1-(cyclopropylamino)-2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79577634
1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79570317
[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79570958
1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79573266
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79576357
1-(cyclopropylamino)-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572034
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572991
2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79573800
2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79575959

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile (CID 79577625) is 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile is N#CC1(NC2CC2)CCCC1CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is NVBOYOIEYIWMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c16-12-15(17-14-3-4-14)6-1-2-13(15)5-7-18-8-10-21(19,20)11-9-18/h13-14,17H,1-11H2.
What are the key properties of 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 311.45 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79577625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).