N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide

C13H27NO2S — CID 102912871

IUPACN-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)C1CCCC1)C(C)C
InChIInChI=1S/C13H27NO2S/c1-10(2)13(11(3)4)9-14-17(15,16)12-7-5-6-8-12/h10-14H,5-9H2,1-4H3
InChIKeyCTPYYYRMWYAFNF-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.78
Rot. Bonds6

About N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide

N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide (PubChem CID 102912871) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide
PubChem CID102912871
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)C1CCCC1)C(C)C
InChIInChI=1S/C13H27NO2S/c1-10(2)13(11(3)4)9-14-17(15,16)12-7-5-6-8-12/h10-14H,5-9H2,1-4H3
InChIKeyCTPYYYRMWYAFNF-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide (CID 102912871) is N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide is CC(C)C(CNS(=O)(=O)C1CCCC1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide?
The InChIKey is CTPYYYRMWYAFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-10(2)13(11(3)4)9-14-17(15,16)12-7-5-6-8-12/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide?
N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide is sourced from PubChem (CID 102912871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).