N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide

C9H21NO3S — CID 61040394

IUPACN-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-8(2)10(6-5-7-11)14(12,13)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeySAGNTSFPNWEHOU-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.82
Rot. Bonds6

About N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide

N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide (PubChem CID 61040394) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide
PubChem CID61040394
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-8(2)10(6-5-7-11)14(12,13)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeySAGNTSFPNWEHOU-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.82
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-ylpropane-2-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide (CID 61040394) is N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide is CC(C)N(CCCO)S(=O)(=O)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide?
The InChIKey is SAGNTSFPNWEHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(2)10(6-5-7-11)14(12,13)9(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide?
N-(3-hydroxypropyl)-N-propan-2-ylpropane-2-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.82, 6 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-ylpropane-2-sulfonamide is sourced from PubChem (CID 61040394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).