N-tert-butylpentane-2-sulfonamide

C9H21NO2S — CID 18467576

IUPACN-tert-butylpentane-2-sulfonamide
SMILESCCCC(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-7-8(2)13(11,12)10-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeySZDZGHQGEANURF-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.89
Rot. Bonds4

About N-tert-butylpentane-2-sulfonamide

N-tert-butylpentane-2-sulfonamide (PubChem CID 18467576) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-tert-butylpentane-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butylpentane-2-sulfonamide
PubChem CID18467576
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-tert-butylpentane-2-sulfonamide
SMILESCCCC(C)S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-6-7-8(2)13(11,12)10-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeySZDZGHQGEANURF-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylpentane-2-sulfonamide?
The IUPAC name of N-tert-butylpentane-2-sulfonamide (CID 18467576) is N-tert-butylpentane-2-sulfonamide.
What is the SMILES notation for N-tert-butylpentane-2-sulfonamide?
The canonical SMILES for N-tert-butylpentane-2-sulfonamide is CCCC(C)S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylpentane-2-sulfonamide?
The InChIKey is SZDZGHQGEANURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-6-7-8(2)13(11,12)10-9(3,4)5/h8,10H,6-7H2,1-5H3.
What are the key properties of N-tert-butylpentane-2-sulfonamide?
N-tert-butylpentane-2-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpentane-2-sulfonamide is sourced from PubChem (CID 18467576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).