N-but-3-enyl-2-sulfanylpropanamide

C7H13NOS — CID 107035126

IUPACN-but-3-enyl-2-sulfanylpropanamide
SMILESC=CCCNC(=O)C(C)S
InChIInChI=1S/C7H13NOS/c1-3-4-5-8-7(9)6(2)10/h3,6,10H,1,4-5H2,2H3,(H,8,9)
InChIKeyZCBSBFSDWVRNPG-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.00
Rot. Bonds4

About N-but-3-enyl-2-sulfanylpropanamide

N-but-3-enyl-2-sulfanylpropanamide (PubChem CID 107035126) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is N-but-3-enyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-but-3-enyl-2-sulfanylpropanamide
PubChem CID107035126
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC NameN-but-3-enyl-2-sulfanylpropanamide
SMILESC=CCCNC(=O)C(C)S
InChIInChI=1S/C7H13NOS/c1-3-4-5-8-7(9)6(2)10/h3,6,10H,1,4-5H2,2H3,(H,8,9)
InChIKeyZCBSBFSDWVRNPG-UHFFFAOYSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-but-3-enyl-2-methylpropanamide
CID 3434507
2-bromo-N-but-3-enylpropanamide
CID 107905743
(2S)-2-amino-N-but-3-enyl-3-methylbutanamide
CID 104861330
N-(2-prop-2-enylsulfanylethyl)-2-sulfanylpropanamide
CID 106433479
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
N-but-3-enylbutanamide
CID 54459050
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
2-bromo-N-but-3-enyl-2-methylpropanamide
CID 114329137
N-(3-methylsulfanylpropyl)-2-sulfanylpropanamide
CID 107030299
N-[3-(ethylamino)propyl]-2-sulfanylpropanamide
CID 107023996
N-but-3-enyl-2-iodoacetamide
CID 86212568
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-sulfanylpropanamide?
The IUPAC name of N-but-3-enyl-2-sulfanylpropanamide (CID 107035126) is N-but-3-enyl-2-sulfanylpropanamide.
What is the SMILES notation for N-but-3-enyl-2-sulfanylpropanamide?
The canonical SMILES for N-but-3-enyl-2-sulfanylpropanamide is C=CCCNC(=O)C(C)S.
What is the InChIKey of N-but-3-enyl-2-sulfanylpropanamide?
The InChIKey is ZCBSBFSDWVRNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-3-4-5-8-7(9)6(2)10/h3,6,10H,1,4-5H2,2H3,(H,8,9).
What are the key properties of N-but-3-enyl-2-sulfanylpropanamide?
N-but-3-enyl-2-sulfanylpropanamide has a molecular weight of 159.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-sulfanylpropanamide is sourced from PubChem (CID 107035126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).