N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine

C12H25NO2S — CID 107757330

IUPACN-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
SMILESCC(C)C(C)S(=O)(=O)CCNC1CCCC1
InChIInChI=1S/C12H25NO2S/c1-10(2)11(3)16(14,15)9-8-13-12-6-4-5-7-12/h10-13H,4-9H2,1-3H3
InChIKeyOFGSVXHYUWLLCJ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds6

About N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine

N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine (PubChem CID 107757330) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
PubChem CID107757330
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
SMILESCC(C)C(C)S(=O)(=O)CCNC1CCCC1
InChIInChI=1S/C12H25NO2S/c1-10(2)11(3)16(14,15)9-8-13-12-6-4-5-7-12/h10-13H,4-9H2,1-3H3
InChIKeyOFGSVXHYUWLLCJ-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine
CID 107757350
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine
CID 106512958
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
2-(cyclooctylamino)ethanesulfonate
CID 153294230
2-[2-(cyclopentylamino)ethylsulfonyl]-N-propan-2-ylacetamide
CID 114232564
1-methyl-N-(2-propan-2-ylsulfonylethyl)piperidin-4-amine
CID 106723200
2-methyl-N-(2-propan-2-ylsulfonylethyl)cycloheptan-1-amine
CID 104926952
2-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-N-propylcyclopentan-1-amine
CID 107759130
N-(2-propan-2-ylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 106723458
3-methyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106724576
N-[2-(cycloheptylamino)ethyl]-2-methylpropane-1-sulfonamide
CID 115306563

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine (CID 107757330) is N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine is CC(C)C(C)S(=O)(=O)CCNC1CCCC1.
What is the InChIKey of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine?
The InChIKey is OFGSVXHYUWLLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)11(3)16(14,15)9-8-13-12-6-4-5-7-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine?
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine is sourced from PubChem (CID 107757330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).