N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine

C15H30N2O2S — CID 79059975

IUPACN-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine
SMILESCNC(CCCS(C)(=O)=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H30N2O2S/c1-16-14(8-7-13-20(2,18)19)15(9-3-4-10-15)17-11-5-6-12-17/h14,16H,3-13H2,1-2H3
InChIKeyFBGRBXUOMZHFSQ-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.81
Rot. Bonds7

About N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine

N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine (PubChem CID 79059975) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine
PubChem CID79059975
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine
SMILESCNC(CCCS(C)(=O)=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H30N2O2S/c1-16-14(8-7-13-20(2,18)19)15(9-3-4-10-15)17-11-5-6-12-17/h14,16H,3-13H2,1-2H3
InChIKeyFBGRBXUOMZHFSQ-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pentan-1-amine
CID 79057439
N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
CID 79057955
N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine
CID 79066675
3-methylsulfonyl-1-(1-piperidin-1-ylcyclopentyl)propan-1-ol
CID 79058241
2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79568733
4-methoxy-N,4-dimethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pentan-1-amine
CID 103035859
2-cyclopentyl-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79058715
N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
CID 79059978
N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine
CID 106829882
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 116767832
4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one
CID 79060746
4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762936

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine (CID 79059975) is N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine is CNC(CCCS(C)(=O)=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine?
The InChIKey is FBGRBXUOMZHFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-16-14(8-7-13-20(2,18)19)15(9-3-4-10-15)17-11-5-6-12-17/h14,16H,3-13H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine?
N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine has a molecular weight of 302.48 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine is sourced from PubChem (CID 79059975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).