N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide

C15H21N3O2S — CID 76921336

IUPACN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
SMILESNC(=NO)C1(C(=O)N(Cc2ccsc2)C2CC2)CCCC1
InChIInChI=1S/C15H21N3O2S/c16-13(17-20)15(6-1-2-7-15)14(19)18(12-3-4-12)9-11-5-8-21-10-11/h5,8,10,12,20H,1-4,6-7,9H2,(H2,16,17)
InChIKeyZPRLBCFCYGBDGP-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.55
Rot. Bonds5

About N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide

N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 76921336) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
PubChem CID76921336
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
SMILESNC(=NO)C1(C(=O)N(Cc2ccsc2)C2CC2)CCCC1
InChIInChI=1S/C15H21N3O2S/c16-13(17-20)15(6-1-2-7-15)14(19)18(12-3-4-12)9-11-5-8-21-10-11/h5,8,10,12,20H,1-4,6-7,9H2,(H2,16,17)
InChIKeyZPRLBCFCYGBDGP-UHFFFAOYSA-N
XLogP2.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide (CID 76921336) is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide is NC(=NO)C1(C(=O)N(Cc2ccsc2)C2CC2)CCCC1.
What is the InChIKey of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is ZPRLBCFCYGBDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-13(17-20)15(6-1-2-7-15)14(19)18(12-3-4-12)9-11-5-8-21-10-11/h5,8,10,12,20H,1-4,6-7,9H2,(H2,16,17).
What are the key properties of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide?
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 76921336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).