[1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol

C15H30N2O3S — CID 79844792

IUPAC[1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol
SMILESCN(CCC1CCCC1(CO)NC1CC1)CCS(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-17(10-11-21(2,19)20)9-7-13-4-3-8-15(13,12-18)16-14-5-6-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyJRODHDYDUFAAGL-UHFFFAOYSA-N
MW318.48 g/mol
LogP0.64
Rot. Bonds9

About [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol

[1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol (PubChem CID 79844792) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol
PubChem CID79844792
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name[1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol
SMILESCN(CCC1CCCC1(CO)NC1CC1)CCS(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-17(10-11-21(2,19)20)9-7-13-4-3-8-15(13,12-18)16-14-5-6-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyJRODHDYDUFAAGL-UHFFFAOYSA-N
XLogP0.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol (CID 79844792) is [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol is CN(CCC1CCCC1(CO)NC1CC1)CCS(C)(=O)=O.
What is the InChIKey of [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol?
The InChIKey is JRODHDYDUFAAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-17(10-11-21(2,19)20)9-7-13-4-3-8-15(13,12-18)16-14-5-6-14/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol?
[1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol has a molecular weight of 318.48 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79844792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).