1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide

C7H16ClNO3S — CID 63664755

IUPAC1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO3S/c1-7(2)9(4-3-5-10)13(11,12)6-8/h7,10H,3-6H2,1-2H3
InChIKeyGEGIAVDDSDPTJH-UHFFFAOYSA-N
MW229.73 g/mol
LogP0.61
Rot. Bonds6

About 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide

1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 63664755) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
PubChem CID63664755
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC Name1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)CCl
InChIInChI=1S/C7H16ClNO3S/c1-7(2)9(4-3-5-10)13(11,12)6-8/h7,10H,3-6H2,1-2H3
InChIKeyGEGIAVDDSDPTJH-UHFFFAOYSA-N
XLogP0.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide (CID 63664755) is 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCCO)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is GEGIAVDDSDPTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO3S/c1-7(2)9(4-3-5-10)13(11,12)6-8/h7,10H,3-6H2,1-2H3.
What are the key properties of 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide?
1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 229.73 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 63664755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).