N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide

C9H17NOS — CID 167119072

IUPACN-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide
SMILESCCC/C=C(/C)NC(=O)C(C)S
InChIInChI=1S/C9H17NOS/c1-4-5-6-7(2)10-9(11)8(3)12/h6,8,12H,4-5H2,1-3H3,(H,10,11)/b7-6-
InChIKeyGUAGNLYZIJBROK-SREVYHEPSA-N
MW187.31 g/mol
LogP2.12
Rot. Bonds4

About N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide

N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide (PubChem CID 167119072) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide
PubChem CID167119072
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide
SMILESCCC/C=C(/C)NC(=O)C(C)S
InChIInChI=1S/C9H17NOS/c1-4-5-6-7(2)10-9(11)8(3)12/h6,8,12H,4-5H2,1-3H3,(H,10,11)/b7-6-
InChIKeyGUAGNLYZIJBROK-SREVYHEPSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-hex-2-en-2-yl]amino]-3-hydroxypropanoic acid
CID 21201067
N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide
CID 174347362
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
carbamoylurea;2-methylhex-2-ene
CID 174255335
N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine
CID 167104498
N-but-3-enyl-2-sulfanylpropanamide
CID 107035126
(2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide
CID 91133478
N-hydroxy-2-sulfanylpropanamide
CID 20542834
N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide
CID 107031126
methyl (E)-2-methylhex-2-enoate
CID 5364816
(E)-3-iodohept-3-en-2-one
CID 101368269
methyl (E)-2-hydroxy-3-methylhept-3-enoate
CID 22150999

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide?
The IUPAC name of N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide (CID 167119072) is N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide?
The canonical SMILES for N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide is CCC/C=C(/C)NC(=O)C(C)S.
What is the InChIKey of N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide?
The InChIKey is GUAGNLYZIJBROK-SREVYHEPSA-N. The full InChI is InChI=1S/C9H17NOS/c1-4-5-6-7(2)10-9(11)8(3)12/h6,8,12H,4-5H2,1-3H3,(H,10,11)/b7-6-.
What are the key properties of N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide?
N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide has a molecular weight of 187.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-2-en-2-yl]-2-sulfanylpropanamide is sourced from PubChem (CID 167119072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).