N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide

C10H22ClNO3S — CID 65030628

IUPACN-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC(CCl)CC(C)C
InChIInChI=1S/C10H22ClNO3S/c1-9(2)7-10(8-11)12-16(13,14)6-4-5-15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyKCUDDVDLYPXRSX-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.60
Rot. Bonds9

About N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide

N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide (PubChem CID 65030628) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide
PubChem CID65030628
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC(CCl)CC(C)C
InChIInChI=1S/C10H22ClNO3S/c1-9(2)7-10(8-11)12-16(13,14)6-4-5-15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyKCUDDVDLYPXRSX-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide (CID 65030628) is N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC(CCl)CC(C)C.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide?
The InChIKey is KCUDDVDLYPXRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-9(2)7-10(8-11)12-16(13,14)6-4-5-15-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide?
N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 65030628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).