N-butyl-3-(methanesulfonamido)propanamide

C8H18N2O3S — CID 23563470

IUPACN-butyl-3-(methanesulfonamido)propanamide
SMILESCCCCNC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-3-4-6-9-8(11)5-7-10-14(2,12)13/h10H,3-7H2,1-2H3,(H,9,11)
InChIKeyQWHXPYQYFUNDON-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.16
Rot. Bonds7

About N-butyl-3-(methanesulfonamido)propanamide

N-butyl-3-(methanesulfonamido)propanamide (PubChem CID 23563470) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-butyl-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-butyl-3-(methanesulfonamido)propanamide
PubChem CID23563470
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-butyl-3-(methanesulfonamido)propanamide
SMILESCCCCNC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-3-4-6-9-8(11)5-7-10-14(2,12)13/h10H,3-7H2,1-2H3,(H,9,11)
InChIKeyQWHXPYQYFUNDON-UHFFFAOYSA-N
XLogP-0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide
CID 71941517
4-(acetylsulfamoyl)-N-ethylbutanamide
CID 138964116
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide
CID 103515537
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,3,3-tetrafluoropropanamide
CID 103733105
N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 164995161
N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 22204015
N-butyl-2-(methanesulfonamido)acetamide
CID 22973780
N-[4-(methanesulfonamido)butyl]pentanamide
CID 23563443
N-[5-(methanesulfonamido)pentyl]pentanamide
CID 23563451
N-[2-(methanesulfonamido)ethyl]propanamide
CID 53807423
3-(methylamino)-N-methylsulfonylpropanamide
CID 58875239
(2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide
CID 58935363

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(methanesulfonamido)propanamide?
The IUPAC name of N-butyl-3-(methanesulfonamido)propanamide (CID 23563470) is N-butyl-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-butyl-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-butyl-3-(methanesulfonamido)propanamide is CCCCNC(=O)CCNS(C)(=O)=O.
What is the InChIKey of N-butyl-3-(methanesulfonamido)propanamide?
The InChIKey is QWHXPYQYFUNDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-4-6-9-8(11)5-7-10-14(2,12)13/h10H,3-7H2,1-2H3,(H,9,11).
What are the key properties of N-butyl-3-(methanesulfonamido)propanamide?
N-butyl-3-(methanesulfonamido)propanamide has a molecular weight of 222.31 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 23563470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).