[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol

C14H23N3OS — CID 79647604

IUPAC[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2nccc(C)n2)C1
InChIInChI=1S/C14H23N3OS/c1-3-7-16-14(10-18)6-4-12(9-14)19-13-15-8-5-11(2)17-13/h5,8,12,16,18H,3-4,6-7,9-10H2,1-2H3
InChIKeyMYYPOOMCYZMZBA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.16
Rot. Bonds6

About [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol

[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol (PubChem CID 79647604) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
PubChem CID79647604
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2nccc(C)n2)C1
InChIInChI=1S/C14H23N3OS/c1-3-7-16-14(10-18)6-4-12(9-14)19-13-15-8-5-11(2)17-13/h5,8,12,16,18H,3-4,6-7,9-10H2,1-2H3
InChIKeyMYYPOOMCYZMZBA-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 115384282
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 79644289
[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol
CID 79647829
3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654341
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
CID 115384268
[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79646307
[3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 79644489
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640590
[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79644828
[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol
CID 79647631
1-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carbonitrile
CID 79636794

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol (CID 79647604) is [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(Sc2nccc(C)n2)C1.
What is the InChIKey of [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol?
The InChIKey is MYYPOOMCYZMZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-7-16-14(10-18)6-4-12(9-14)19-13-15-8-5-11(2)17-13/h5,8,12,16,18H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol?
[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol has a molecular weight of 281.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79647604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).