[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

C14H29N3O3S — CID 79647012

IUPAC[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-12(2)15-14(11-18)5-4-13(10-14)16-6-8-17(9-7-16)21(3,19)20/h12-13,15,18H,4-11H2,1-3H3
InChIKeyUOSLNFHGTDRIBG-UHFFFAOYSA-N
MW319.47 g/mol
LogP-0.15
Rot. Bonds5

About [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol

[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79647012) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79647012
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-12(2)15-14(11-18)5-4-13(10-14)16-6-8-17(9-7-16)21(3,19)20/h12-13,15,18H,4-11H2,1-3H3
InChIKeyUOSLNFHGTDRIBG-UHFFFAOYSA-N
XLogP-0.15
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656613
[3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656843
[3-(4-ethylazepan-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656555
[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634525
[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634359
[3-(2,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656392
[3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635044
[3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656766
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635678
[3-(2-methylimidazol-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645743
[3-(2,5-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656040

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79647012) is [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is CC(C)NC1(CO)CCC(N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is UOSLNFHGTDRIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-12(2)15-14(11-18)5-4-13(10-14)16-6-8-17(9-7-16)21(3,19)20/h12-13,15,18H,4-11H2,1-3H3.
What are the key properties of [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 319.47 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79647012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).