N-propylmethanesulfonamide

C4H10NO2S- — CID 58603049

IUPACN-propylmethanesulfonamide
SMILES[CH2-]CCNS(C)(=O)=O
InChIInChI=1S/C4H10NO2S/c1-3-4-5-8(2,6)7/h5H,1,3-4H2,2H3/q-1
InChIKeyRPOLBSMHZUWDDY-UHFFFAOYSA-N
MW136.20 g/mol
LogP-0.24
Rot. Bonds3

About N-propylmethanesulfonamide

N-propylmethanesulfonamide (PubChem CID 58603049) has the molecular formula C4H10NO2S- and a molecular weight of 136.20 g/mol. Its IUPAC name is N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-propylmethanesulfonamide
PubChem CID58603049
Molecular FormulaC4H10NO2S-
Molecular Weight136.20 g/mol
Exact Mass136.04
IUPAC NameN-propylmethanesulfonamide
SMILES[CH2-]CCNS(C)(=O)=O
InChIInChI=1S/C4H10NO2S/c1-3-4-5-8(2,6)7/h5H,1,3-4H2,2H3/q-1
InChIKeyRPOLBSMHZUWDDY-UHFFFAOYSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Methanesulfonylsulfanyl)propan-1-amine
CID 2735412
N-(propan-2-yl)methanesulfonamide
CID 312702
N-Ethylmethanesulfonamide
CID 5136276
N-(but-3-yn-1-yl)methanesulfonamide
CID 56765734
N-propylmethanesulfonamide
CID 235967
N-(3-Aminopropyl)methanesulfonamide
CID 18350602
N,N'-(propane-1,3-diyl)dimethanesulfonamide
CID 4609400
N-ethylethane-1-sulfonamide
CID 3302035
N-(2-methylpropyl)methanesulfonamide
CID 4547916
N-cyclopropylmethanesulfonamide
CID 5112945
Ethanaminium mesylate
CID 56927986
N-pentylmethanesulfonamide
CID 4157176

Frequently Asked Questions

What is the IUPAC name of N-propylmethanesulfonamide?
The IUPAC name of N-propylmethanesulfonamide (CID 58603049) is N-propylmethanesulfonamide.
What is the SMILES notation for N-propylmethanesulfonamide?
The canonical SMILES for N-propylmethanesulfonamide is [CH2-]CCNS(C)(=O)=O.
What is the InChIKey of N-propylmethanesulfonamide?
The InChIKey is RPOLBSMHZUWDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO2S/c1-3-4-5-8(2,6)7/h5H,1,3-4H2,2H3/q-1.
What are the key properties of N-propylmethanesulfonamide?
N-propylmethanesulfonamide has a molecular weight of 136.20 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylmethanesulfonamide is sourced from PubChem (CID 58603049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).