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

C9H22N2O2S — CID 60602606

IUPACN-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
SMILESCC(C)N(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-9(2)11(3)8-6-5-7-10-14(4,12)13/h9-10H,5-8H2,1-4H3
InChIKeyYKXCTAQGNLZLJA-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.66
Rot. Bonds7

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

N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide (PubChem CID 60602606) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
PubChem CID60602606
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
SMILESCC(C)N(C)CCCCNS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-9(2)11(3)8-6-5-7-10-14(4,12)13/h9-10H,5-8H2,1-4H3
InChIKeyYKXCTAQGNLZLJA-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 63664575
1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
CID 106052815
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
N-(5-methylhexyl)methanesulfonamide
CID 58970685
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N-[3-[1,4-dihydroxybutan-2-yl(methyl)amino]propyl]methanesulfonamide
CID 23542741
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide?
The IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide (CID 60602606) is N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide.
What is the SMILES notation for N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide?
The canonical SMILES for N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide is CC(C)N(C)CCCCNS(C)(=O)=O.
What is the InChIKey of N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide?
The InChIKey is YKXCTAQGNLZLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-9(2)11(3)8-6-5-7-10-14(4,12)13/h9-10H,5-8H2,1-4H3.
What are the key properties of N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide?
N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide is sourced from PubChem (CID 60602606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).