N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide

C8H19NO3S — CID 61038951

IUPACN-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCO)C(C)C
InChIInChI=1S/C8H19NO3S/c1-4-13(11,12)9(8(2)3)6-5-7-10/h8,10H,4-7H2,1-3H3
InChIKeyIIXCAQNBAZRQRD-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.43
Rot. Bonds6

About N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide

N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide (PubChem CID 61038951) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide
PubChem CID61038951
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide
SMILESCCS(=O)(=O)N(CCCO)C(C)C
InChIInChI=1S/C8H19NO3S/c1-4-13(11,12)9(8(2)3)6-5-7-10/h8,10H,4-7H2,1-3H3
InChIKeyIIXCAQNBAZRQRD-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.43
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-ylethanesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide (CID 61038951) is N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide is CCS(=O)(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide?
The InChIKey is IIXCAQNBAZRQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-13(11,12)9(8(2)3)6-5-7-10/h8,10H,4-7H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide?
N-(3-hydroxypropyl)-N-propan-2-ylethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.43, 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-ylethanesulfonamide is sourced from PubChem (CID 61038951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).