(5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione

C12H17N3O2S — CID 26469951

IUPAC(5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESNCCCCC[C@]1(c2cccs2)NC(=O)NC1=O
InChIInChI=1S/C12H17N3O2S/c13-7-3-1-2-6-12(9-5-4-8-18-9)10(16)14-11(17)15-12/h4-5,8H,1-3,6-7,13H2,(H2,14,15,16,17)/t12-/m1/s1
InChIKeyQVTJQZKJIRQSOP-GFCCVEGCSA-N
MW267.35 g/mol
LogP1.30
Rot. Bonds6

About (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione

(5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 26469951) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID26469951
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name(5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESNCCCCC[C@]1(c2cccs2)NC(=O)NC1=O
InChIInChI=1S/C12H17N3O2S/c13-7-3-1-2-6-12(9-5-4-8-18-9)10(16)14-11(17)15-12/h4-5,8H,1-3,6-7,13H2,(H2,14,15,16,17)/t12-/m1/s1
InChIKeyQVTJQZKJIRQSOP-GFCCVEGCSA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 82287581
10-thiophen-2-yldecan-1-amine
CID 22115195
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
CID 119799163
2-(4-thiophen-2-yloxan-4-yl)ethanamine
CID 83820999
5-thiophen-2-ylsulfonylpentan-1-amine
CID 64697389
(4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95656033
(5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 175783183
6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
CID 54964033
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
4-thiophen-2-yloxybutan-1-amine
CID 83807030
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
5-(aminomethyl)-5-(1-methylpyrrol-3-yl)imidazolidine-2,4-dione
CID 82283640

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione (CID 26469951) is (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione is NCCCCC[C@]1(c2cccs2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is QVTJQZKJIRQSOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-7-3-1-2-6-12(9-5-4-8-18-9)10(16)14-11(17)15-12/h4-5,8H,1-3,6-7,13H2,(H2,14,15,16,17)/t12-/m1/s1.
What are the key properties of (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione?
(5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 267.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(5-aminopentyl)-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 26469951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).