N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide

C10H23NO3S — CID 61038950

IUPACN-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCCO)C(C)C
InChIInChI=1S/C10H23NO3S/c1-4-5-9-15(13,14)11(10(2)3)7-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyBNCANYBKGFKCKY-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.21
Rot. Bonds8

About N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide

N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide (PubChem CID 61038950) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide
PubChem CID61038950
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCCO)C(C)C
InChIInChI=1S/C10H23NO3S/c1-4-5-9-15(13,14)11(10(2)3)7-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyBNCANYBKGFKCKY-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide (CID 61038950) is N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide?
The InChIKey is BNCANYBKGFKCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-5-9-15(13,14)11(10(2)3)7-6-8-12/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide?
N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 61038950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).