N-propyl-3-(thian-4-ylamino)propanamide

C11H22N2OS — CID 61060687

IUPACN-propyl-3-(thian-4-ylamino)propanamide
SMILESCCCNC(=O)CCNC1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-2-6-13-11(14)3-7-12-10-4-8-15-9-5-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyCGCRLZBNRDNWRI-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.39
Rot. Bonds6

About N-propyl-3-(thian-4-ylamino)propanamide

N-propyl-3-(thian-4-ylamino)propanamide (PubChem CID 61060687) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-propyl-3-(thian-4-ylamino)propanamide.

Molecular Properties

Compound NameN-propyl-3-(thian-4-ylamino)propanamide
PubChem CID61060687
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-propyl-3-(thian-4-ylamino)propanamide
SMILESCCCNC(=O)CCNC1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-2-6-13-11(14)3-7-12-10-4-8-15-9-5-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyCGCRLZBNRDNWRI-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
CID 65091127
3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
CID 61060237
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
3-[(3-cyclopropylcyclohexyl)amino]-N-propylpropanamide
CID 64623786
3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide
CID 106292266
3-(cyclopropylamino)-N-[2-[ethyl(methyl)amino]ethyl]propanamide
CID 62640423
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
N-(2-propylsulfonylethyl)thian-4-amine
CID 106724514
N-(3-aminopropyl)-3-(cyclopropylamino)propanamide
CID 61275861
2-[(4-propan-2-ylcyclohexyl)amino]-N-propylacetamide
CID 62703314

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(thian-4-ylamino)propanamide?
The IUPAC name of N-propyl-3-(thian-4-ylamino)propanamide (CID 61060687) is N-propyl-3-(thian-4-ylamino)propanamide.
What is the SMILES notation for N-propyl-3-(thian-4-ylamino)propanamide?
The canonical SMILES for N-propyl-3-(thian-4-ylamino)propanamide is CCCNC(=O)CCNC1CCSCC1.
What is the InChIKey of N-propyl-3-(thian-4-ylamino)propanamide?
The InChIKey is CGCRLZBNRDNWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-2-6-13-11(14)3-7-12-10-4-8-15-9-5-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of N-propyl-3-(thian-4-ylamino)propanamide?
N-propyl-3-(thian-4-ylamino)propanamide has a molecular weight of 230.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(thian-4-ylamino)propanamide is sourced from PubChem (CID 61060687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).