N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine

C13H21N3O2S — CID 106569453

IUPACN-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine
SMILESO=S1(=O)CCC(Cn2ccnc2NC2CCCC2)C1
InChIInChI=1S/C13H21N3O2S/c17-19(18)8-5-11(10-19)9-16-7-6-14-13(16)15-12-3-1-2-4-12/h6-7,11-12H,1-5,8-10H2,(H,14,15)
InChIKeyRIYOJSZAQHOROD-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.67
Rot. Bonds4

About N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine

N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine (PubChem CID 106569453) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine
PubChem CID106569453
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine
SMILESO=S1(=O)CCC(Cn2ccnc2NC2CCCC2)C1
InChIInChI=1S/C13H21N3O2S/c17-19(18)8-5-11(10-19)9-16-7-6-14-13(16)15-12-3-1-2-4-12/h6-7,11-12H,1-5,8-10H2,(H,14,15)
InChIKeyRIYOJSZAQHOROD-UHFFFAOYSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide
CID 56865181
2-[1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 55039624
N-cyclohexyl-1-(2,2-dimethylpropyl)imidazol-2-amine
CID 106563673
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
N-cyclopropyl-1-[(1-ethylpiperidin-4-yl)methyl]imidazol-2-amine
CID 106566972
(3S)-3-[[2-(4,5-dimethylfuran-2-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 95550835
N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571890
N-cyclopentyl-1-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554398
1-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-N-propylimidazol-2-amine
CID 106569460
N-cyclopentyl-1-cyclopropylimidazol-2-amine
CID 106554935
1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
CID 106568112

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine (CID 106569453) is N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine is O=S1(=O)CCC(Cn2ccnc2NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine?
The InChIKey is RIYOJSZAQHOROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-19(18)8-5-11(10-19)9-16-7-6-14-13(16)15-12-3-1-2-4-12/h6-7,11-12H,1-5,8-10H2,(H,14,15).
What are the key properties of N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine?
N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(1,1-dioxothiolan-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106569453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).