2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine

C13H27NO2S — CID 107759062

IUPAC2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C13H27NO2S/c1-5-9-14-12-7-6-8-13(12)17(15,16)11(4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyQWZRANUHMPQEOC-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds6

About 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine

2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine (PubChem CID 107759062) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine
PubChem CID107759062
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)(=O)C(C)C(C)C
InChIInChI=1S/C13H27NO2S/c1-5-9-14-12-7-6-8-13(12)17(15,16)11(4)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyQWZRANUHMPQEOC-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine
CID 107759130
N-propyl-2-propylsulfonylcyclooctan-1-amine
CID 64644715
4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol
CID 75515768
2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
CID 64673642
2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine
CID 64676253
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
4-methyl-2-methylsulfonyl-N-propylcyclohexan-1-amine
CID 62784580
methyl 3-[2-(propylamino)cycloheptyl]sulfonylpropanoate
CID 64675556
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine
CID 64654374

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine (CID 107759062) is 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1S(=O)(=O)C(C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine?
The InChIKey is QWZRANUHMPQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-9-14-12-7-6-8-13(12)17(15,16)11(4)10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine?
2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 107759062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).