N-butylmethanesulfonamide

C5H12NO2S- — CID 58603006

IUPACN-butylmethanesulfonamide
SMILES[CH2-]CCCNS(C)(=O)=O
InChIInChI=1S/C5H12NO2S/c1-3-4-5-6-9(2,7)8/h6H,1,3-5H2,2H3/q-1
InChIKeyUJDVRUBOVKUERQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.15
Rot. Bonds4

About N-butylmethanesulfonamide

N-butylmethanesulfonamide (PubChem CID 58603006) has the molecular formula C5H12NO2S- and a molecular weight of 150.22 g/mol. Its IUPAC name is N-butylmethanesulfonamide.

Molecular Properties

Compound NameN-butylmethanesulfonamide
PubChem CID58603006
Molecular FormulaC5H12NO2S-
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC NameN-butylmethanesulfonamide
SMILES[CH2-]CCCNS(C)(=O)=O
InChIInChI=1S/C5H12NO2S/c1-3-4-5-6-9(2,7)8/h6H,1,3-5H2,2H3/q-1
InChIKeyUJDVRUBOVKUERQ-UHFFFAOYSA-N
XLogP0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methylbutane-1-sulfonamide
CID 61456555
N-(propan-2-yl)methanesulfonamide
CID 312702
N-Ethylmethanesulfonamide
CID 5136276
N-propylmethanesulfonamide
CID 235967
N-(3-Aminopropyl)methanesulfonamide
CID 18350602
N-(6-aminohexyl)methanesulfonamide
CID 14484867
N-(2-methylpropyl)methanesulfonamide
CID 4547916
Ethanaminium mesylate
CID 56927986
N-pentylmethanesulfonamide
CID 4157176
N,N'-(Butane-1,4-diyl)dimethanesulfonamide
CID 241170
N-(pent-4-yn-1-yl)methanesulfonamide
CID 103698107
2-Amino-N-butylethanesulfonamide
CID 21458645

Frequently Asked Questions

What is the IUPAC name of N-butylmethanesulfonamide?
The IUPAC name of N-butylmethanesulfonamide (CID 58603006) is N-butylmethanesulfonamide.
What is the SMILES notation for N-butylmethanesulfonamide?
The canonical SMILES for N-butylmethanesulfonamide is [CH2-]CCCNS(C)(=O)=O.
What is the InChIKey of N-butylmethanesulfonamide?
The InChIKey is UJDVRUBOVKUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2S/c1-3-4-5-6-9(2,7)8/h6H,1,3-5H2,2H3/q-1.
What are the key properties of N-butylmethanesulfonamide?
N-butylmethanesulfonamide has a molecular weight of 150.22 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylmethanesulfonamide is sourced from PubChem (CID 58603006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).