N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide

C10H18N2OS — CID 103062825

IUPACN-prop-2-enyl-2-(thiolan-3-ylamino)propanamide
SMILESC=CCNC(=O)C(C)NC1CCSC1
InChIInChI=1S/C10H18N2OS/c1-3-5-11-10(13)8(2)12-9-4-6-14-7-9/h3,8-9,12H,1,4-7H2,2H3,(H,11,13)
InChIKeyQENQJYPKCHRMBT-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.77
Rot. Bonds5

About N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide

N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide (PubChem CID 103062825) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(thiolan-3-ylamino)propanamide
PubChem CID103062825
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-prop-2-enyl-2-(thiolan-3-ylamino)propanamide
SMILESC=CCNC(=O)C(C)NC1CCSC1
InChIInChI=1S/C10H18N2OS/c1-3-5-11-10(13)8(2)12-9-4-6-14-7-9/h3,8-9,12H,1,4-7H2,2H3,(H,11,13)
InChIKeyQENQJYPKCHRMBT-UHFFFAOYSA-N
XLogP0.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(thiolan-3-ylamino)propanamide
CID 103062851
N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide
CID 103062976
2-(cyclopent-3-en-1-ylamino)-N-prop-2-enylpropanamide
CID 115695289
4-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 60809074
2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide
CID 115880295
2-[(3-methylsulfanylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 114123114
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
CID 63923148
2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 43087479
2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
CID 43216208
(2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide
CID 97097131
2-(thiolan-3-ylamino)but-3-en-1-ol
CID 131206958
4-(thiolan-3-ylamino)pentanoic acid
CID 103062625

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide?
The IUPAC name of N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide (CID 103062825) is N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide.
What is the SMILES notation for N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide?
The canonical SMILES for N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide is C=CCNC(=O)C(C)NC1CCSC1.
What is the InChIKey of N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide?
The InChIKey is QENQJYPKCHRMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-5-11-10(13)8(2)12-9-4-6-14-7-9/h3,8-9,12H,1,4-7H2,2H3,(H,11,13).
What are the key properties of N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide?
N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide has a molecular weight of 214.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(thiolan-3-ylamino)propanamide is sourced from PubChem (CID 103062825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).