N-(methylsulfamoyl)pent-4-yn-1-amine

C6H12N2O2S — CID 106223287

IUPACN-(methylsulfamoyl)pent-4-yn-1-amine
SMILESC#CCCCNS(=O)(=O)NC
InChIInChI=1S/C6H12N2O2S/c1-3-4-5-6-8-11(9,10)7-2/h1,7-8H,4-6H2,2H3
InChIKeyMBSQSCZGVUPPPP-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.55
Rot. Bonds5

About N-(methylsulfamoyl)pent-4-yn-1-amine

N-(methylsulfamoyl)pent-4-yn-1-amine (PubChem CID 106223287) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(methylsulfamoyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(methylsulfamoyl)pent-4-yn-1-amine
PubChem CID106223287
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-(methylsulfamoyl)pent-4-yn-1-amine
SMILESC#CCCCNS(=O)(=O)NC
InChIInChI=1S/C6H12N2O2S/c1-3-4-5-6-8-11(9,10)7-2/h1,7-8H,4-6H2,2H3
InChIKeyMBSQSCZGVUPPPP-UHFFFAOYSA-N
XLogP-0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butylsulfamoyl)pent-4-yn-1-amine
CID 106223279
N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
CID 106223265
1-chloro-N-pent-4-ynylmethanesulfonamide
CID 106223218
3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
CID 103698152
N'-(methylsulfamoyl)pentane-1,5-diamine
CID 114804066
N-methylpent-4-yn-1-amine;hydrochloride
CID 119099161
4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide
CID 106210034
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
N-methyl-N'-pent-4-ynylpropane-1,3-diamine
CID 59962672
3-amino-5-fluoro-4-methyl-N-pent-4-ynylbenzenesulfonamide
CID 114159871

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfamoyl)pent-4-yn-1-amine?
The IUPAC name of N-(methylsulfamoyl)pent-4-yn-1-amine (CID 106223287) is N-(methylsulfamoyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(methylsulfamoyl)pent-4-yn-1-amine?
The canonical SMILES for N-(methylsulfamoyl)pent-4-yn-1-amine is C#CCCCNS(=O)(=O)NC.
What is the InChIKey of N-(methylsulfamoyl)pent-4-yn-1-amine?
The InChIKey is MBSQSCZGVUPPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-3-4-5-6-8-11(9,10)7-2/h1,7-8H,4-6H2,2H3.
What are the key properties of N-(methylsulfamoyl)pent-4-yn-1-amine?
N-(methylsulfamoyl)pent-4-yn-1-amine has a molecular weight of 176.24 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfamoyl)pent-4-yn-1-amine is sourced from PubChem (CID 106223287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).