2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide

C12H26N2O3S — CID 114809952

IUPAC2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
SMILESCC(O)CC1CCCCCN1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H26N2O3S/c1-10(2)13-18(16,17)14-8-6-4-5-7-12(14)9-11(3)15/h10-13,15H,4-9H2,1-3H3
InChIKeyKYIYCTQAPOHJNI-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.24
Rot. Bonds5

About 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide

2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide (PubChem CID 114809952) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
PubChem CID114809952
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
SMILESCC(O)CC1CCCCCN1S(=O)(=O)NC(C)C
InChIInChI=1S/C12H26N2O3S/c1-10(2)13-18(16,17)14-8-6-4-5-7-12(14)9-11(3)15/h10-13,15H,4-9H2,1-3H3
InChIKeyKYIYCTQAPOHJNI-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
methyl N-[2-(2-hydroxypropyl)azepan-1-yl]sulfonylcarbamate
CID 114464433
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
ethyl N-[2-(2-hydroxypropyl)piperidin-1-yl]sulfonylcarbamate
CID 114464428
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545900
1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
CID 79541603
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
1-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]propan-2-ol
CID 79594908
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663
N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide?
The IUPAC name of 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide (CID 114809952) is 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide.
What is the SMILES notation for 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide?
The canonical SMILES for 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide is CC(O)CC1CCCCCN1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide?
The InChIKey is KYIYCTQAPOHJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-10(2)13-18(16,17)14-8-6-4-5-7-12(14)9-11(3)15/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide?
2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide is sourced from PubChem (CID 114809952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).