2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine

C15H31NO2S — CID 107759130

IUPAC2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)(=O)C(C)C(C)C
InChIInChI=1S/C15H31NO2S/c1-5-10-16-15-8-6-7-14(15)9-11-19(17,18)13(4)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyLGLCBOCNNSYWME-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.00
Rot. Bonds8

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

2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine (PubChem CID 107759130) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine
PubChem CID107759130
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)(=O)C(C)C(C)C
InChIInChI=1S/C15H31NO2S/c1-5-10-16-15-8-6-7-14(15)9-11-19(17,18)13(4)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyLGLCBOCNNSYWME-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentan-1-amine
CID 107759128
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 107759062
2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587194
2-[2-(2-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587196
N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine
CID 107760245
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62616468
2-[2-(diethylamino)ethyl]-N-propylcyclopentan-1-amine
CID 79569636
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
CID 107757330
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
2-[2-[cyclopropyl(methyl)amino]ethyl]-N-propylcyclopentan-1-amine
CID 79569650
N-propyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine (CID 107759130) is 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCS(=O)(=O)C(C)C(C)C.
What is the InChIKey of 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine?
The InChIKey is LGLCBOCNNSYWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-5-10-16-15-8-6-7-14(15)9-11-19(17,18)13(4)12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine?
2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine has a molecular weight of 289.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 107759130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).