N-pent-4-yn-2-ylmethanesulfinamide

C6H11NOS — CID 130834467

IUPACN-pent-4-yn-2-ylmethanesulfinamide
SMILESC#CCC(C)NS(C)=O
InChIInChI=1S/C6H11NOS/c1-4-5-6(2)7-9(3)8/h1,6-7H,5H2,2-3H3
InChIKeyBMDBLSBUPTVSRU-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.28
Rot. Bonds3

About N-pent-4-yn-2-ylmethanesulfinamide

N-pent-4-yn-2-ylmethanesulfinamide (PubChem CID 130834467) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is N-pent-4-yn-2-ylmethanesulfinamide.

Molecular Properties

Compound NameN-pent-4-yn-2-ylmethanesulfinamide
PubChem CID130834467
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameN-pent-4-yn-2-ylmethanesulfinamide
SMILESC#CCC(C)NS(C)=O
InChIInChI=1S/C6H11NOS/c1-4-5-6(2)7-9(3)8/h1,6-7H,5H2,2-3H3
InChIKeyBMDBLSBUPTVSRU-UHFFFAOYSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(but-3-yn-1-yl)methanesulfonamide
CID 56765734
N-(but-3-yn-1-yl)methanesulfonoimidamide hydrochloride
CID 146082076
(S)-N-[(2S)-but-3-yn-2-yl]-2-methylpropane-2-sulfinamide
CID 162408221
N-propan-2-ylmethanesulfinamide
CID 14896695
(S)-N-propan-2-ylmethanesulfinamide
CID 166081193
N-[(2S)-but-3-yn-2-yl]methanesulfonamide
CID 167135429
N-(But-3-yn-2-yl)methanesulfonamide
CID 14025441
N-pent-1-yn-3-ylmethanesulfonamide
CID 106898640
N-hex-1-yn-3-ylmethanesulfonamide
CID 106898819
N-hex-5-yn-3-ylmethanesulfonamide
CID 115650544
N-pent-4-yn-2-ylmethanesulfonamide
CID 115662603
N-but-3-ynylethanesulfinamide
CID 127006137

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-ylmethanesulfinamide?
The IUPAC name of N-pent-4-yn-2-ylmethanesulfinamide (CID 130834467) is N-pent-4-yn-2-ylmethanesulfinamide.
What is the SMILES notation for N-pent-4-yn-2-ylmethanesulfinamide?
The canonical SMILES for N-pent-4-yn-2-ylmethanesulfinamide is C#CCC(C)NS(C)=O.
What is the InChIKey of N-pent-4-yn-2-ylmethanesulfinamide?
The InChIKey is BMDBLSBUPTVSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4-5-6(2)7-9(3)8/h1,6-7H,5H2,2-3H3.
What are the key properties of N-pent-4-yn-2-ylmethanesulfinamide?
N-pent-4-yn-2-ylmethanesulfinamide has a molecular weight of 145.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-ylmethanesulfinamide is sourced from PubChem (CID 130834467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).