N-but-3-ynylethanesulfinamide

C6H11NOS — CID 127006137

IUPACN-but-3-ynylethanesulfinamide
SMILESC#CCCNS(=O)CC
InChIInChI=1S/C6H11NOS/c1-3-5-6-7-9(8)4-2/h1,7H,4-6H2,2H3
InChIKeyCIWQGWZGLJUYMU-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.28
Rot. Bonds4

About N-but-3-ynylethanesulfinamide

N-but-3-ynylethanesulfinamide (PubChem CID 127006137) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is N-but-3-ynylethanesulfinamide.

Molecular Properties

Compound NameN-but-3-ynylethanesulfinamide
PubChem CID127006137
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameN-but-3-ynylethanesulfinamide
SMILESC#CCCNS(=O)CC
InChIInChI=1S/C6H11NOS/c1-3-5-6-7-9(8)4-2/h1,7H,4-6H2,2H3
InChIKeyCIWQGWZGLJUYMU-UHFFFAOYSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(prop-2-yn-1-yl)ethane-1-sulfonamide
CID 54208581
N-(but-3-yn-1-yl)methanesulfonoimidamide hydrochloride
CID 146082076
N-(but-3-yn-1-yl)propane-1-sulfonamide
CID 56765735
N-(but-3-yn-1-yl)propane-2-sulfonamide
CID 56765740
N-ethylpropane-2-sulfinamide
CID 21703066
N-ethylbutane-2-sulfinamide
CID 21703068
N-ethylbutane-1-sulfinamide
CID 53651139
N-ethylpropane-1-sulfinamide
CID 53813437
3-But-3-yn-2-ylsulfinylpropan-1-amine
CID 58684180
2-But-3-yn-2-ylsulfinylethanamine
CID 58684337
2-Prop-2-ynylsulfinylpropan-1-amine
CID 58684603
2-Pent-2-ynylsulfinylethanamine
CID 58685005

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylethanesulfinamide?
The IUPAC name of N-but-3-ynylethanesulfinamide (CID 127006137) is N-but-3-ynylethanesulfinamide.
What is the SMILES notation for N-but-3-ynylethanesulfinamide?
The canonical SMILES for N-but-3-ynylethanesulfinamide is C#CCCNS(=O)CC.
What is the InChIKey of N-but-3-ynylethanesulfinamide?
The InChIKey is CIWQGWZGLJUYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-3-5-6-7-9(8)4-2/h1,7H,4-6H2,2H3.
What are the key properties of N-but-3-ynylethanesulfinamide?
N-but-3-ynylethanesulfinamide has a molecular weight of 145.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylethanesulfinamide is sourced from PubChem (CID 127006137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).