1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide

C9H21ClN2O2S — CID 63664575

IUPAC1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)CCl
InChIInChI=1S/C9H21ClN2O2S/c1-9(2)12(3)7-5-4-6-11-15(13,14)8-10/h9,11H,4-8H2,1-3H3
InChIKeyGJLIKEWXDSQZLO-UHFFFAOYSA-N
MW256.80 g/mol
LogP1.22
Rot. Bonds8

About 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide

1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide (PubChem CID 63664575) has the molecular formula C9H21ClN2O2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
PubChem CID63664575
Molecular FormulaC9H21ClN2O2S
Molecular Weight256.80 g/mol
Exact Mass256.10
IUPAC Name1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)CCl
InChIInChI=1S/C9H21ClN2O2S/c1-9(2)12(3)7-5-4-6-11-15(13,14)8-10/h9,11H,4-8H2,1-3H3
InChIKeyGJLIKEWXDSQZLO-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 51.22
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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Related Compounds

N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
CID 106052815
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
1-chloro-N-(4-hydroxybutyl)methanesulfonamide
CID 106844119
methyl 4-(chloromethylsulfonylamino)butanoate
CID 63664972
2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 62156997
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide (CID 63664575) is 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide is CC(C)N(C)CCCCNS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide?
The InChIKey is GJLIKEWXDSQZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClN2O2S/c1-9(2)12(3)7-5-4-6-11-15(13,14)8-10/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide?
1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide has a molecular weight of 256.80 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide is sourced from PubChem (CID 63664575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).