N-pent-1-yn-3-ylmethanesulfonamide

C6H11NO2S — CID 106898640

IUPACN-pent-1-yn-3-ylmethanesulfonamide
SMILESC#CC(CC)NS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-4-6(5-2)7-10(3,8)9/h1,6-7H,5H2,2-3H3
InChIKeyCWBMCXABLCKSQS-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.05
Rot. Bonds3

About N-pent-1-yn-3-ylmethanesulfonamide

N-pent-1-yn-3-ylmethanesulfonamide (PubChem CID 106898640) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-pent-1-yn-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-pent-1-yn-3-ylmethanesulfonamide
PubChem CID106898640
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-pent-1-yn-3-ylmethanesulfonamide
SMILESC#CC(CC)NS(C)(=O)=O
InChIInChI=1S/C6H11NO2S/c1-4-6(5-2)7-10(3,8)9/h1,6-7H,5H2,2-3H3
InChIKeyCWBMCXABLCKSQS-UHFFFAOYSA-N
XLogP-0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(propan-2-yl)methanesulfonamide
CID 312702
N-(Prop-2-yn-1-yl)methanesulfonamide
CID 14025440
N-(but-3-yn-1-yl)methanesulfonamide
CID 56765734
N-(pent-4-yn-1-yl)methanesulfonamide
CID 103698107
1,1-difluoro-N-pent-1-yn-3-ylmethanesulfonamide
CID 106898613
1,1-difluoro-N-hex-1-yn-3-ylmethanesulfonamide
CID 106898791
N-but-3-yn-2-yl-1,1-difluoromethanesulfonamide
CID 114419092
1,1-difluoro-N-hex-5-yn-3-ylmethanesulfonamide
CID 115650467
1,1-difluoro-N-pent-4-yn-2-ylmethanesulfonamide
CID 115662643
N-(but-3-yn-1-yl)propane-1-sulfonamide
CID 56765735
N-(but-3-yn-1-yl)propane-2-sulfonamide
CID 56765740
N-(1-Methylpropyl)methanesulfonamide
CID 4075930

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-ylmethanesulfonamide?
The IUPAC name of N-pent-1-yn-3-ylmethanesulfonamide (CID 106898640) is N-pent-1-yn-3-ylmethanesulfonamide.
What is the SMILES notation for N-pent-1-yn-3-ylmethanesulfonamide?
The canonical SMILES for N-pent-1-yn-3-ylmethanesulfonamide is C#CC(CC)NS(C)(=O)=O.
What is the InChIKey of N-pent-1-yn-3-ylmethanesulfonamide?
The InChIKey is CWBMCXABLCKSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-6(5-2)7-10(3,8)9/h1,6-7H,5H2,2-3H3.
What are the key properties of N-pent-1-yn-3-ylmethanesulfonamide?
N-pent-1-yn-3-ylmethanesulfonamide has a molecular weight of 161.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-ylmethanesulfonamide is sourced from PubChem (CID 106898640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).