N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide

C9H18ClNO2S — CID 64989097

IUPACN-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)CC1CC1
InChIInChI=1S/C9H18ClNO2S/c1-8(2)11(6-5-10)14(12,13)7-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyQJCLEODHOGWJKE-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.68
Rot. Bonds6

About N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide

N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide (PubChem CID 64989097) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide
PubChem CID64989097
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)CC1CC1
InChIInChI=1S/C9H18ClNO2S/c1-8(2)11(6-5-10)14(12,13)7-9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyQJCLEODHOGWJKE-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide
CID 55186312
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide
CID 107492869
3-[cyclohexylmethylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998240
N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
CID 103521702
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
CID 63396856
N-(2-chloroethyl)-3-methoxy-N-propan-2-ylpropane-1-sulfonamide
CID 63397448
N-(cyclopropylmethyl)-N-propan-2-ylethanesulfonamide
CID 63738150
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63247520
N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide
CID 64552243
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77037895

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide (CID 64989097) is N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide is CC(C)N(CCCl)S(=O)(=O)CC1CC1.
What is the InChIKey of N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide?
The InChIKey is QJCLEODHOGWJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-8(2)11(6-5-10)14(12,13)7-9-3-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide?
N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-cyclopropyl-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 64989097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).