N-(cyclopentylcarbamothioylamino)formamide

C7H13N3OS — CID 17370921

IUPACN-(cyclopentylcarbamothioylamino)formamide
SMILESO=CNNC(=S)NC1CCCC1
InChIInChI=1S/C7H13N3OS/c11-5-8-10-7(12)9-6-3-1-2-4-6/h5-6H,1-4H2,(H,8,11)(H2,9,10,12)
InChIKeyNRSHTZICEUUHFO-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.05
Rot. Bonds3

About N-(cyclopentylcarbamothioylamino)formamide

N-(cyclopentylcarbamothioylamino)formamide (PubChem CID 17370921) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is N-(cyclopentylcarbamothioylamino)formamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamothioylamino)formamide
PubChem CID17370921
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC NameN-(cyclopentylcarbamothioylamino)formamide
SMILESO=CNNC(=S)NC1CCCC1
InChIInChI=1S/C7H13N3OS/c11-5-8-10-7(12)9-6-3-1-2-4-6/h5-6H,1-4H2,(H,8,11)(H2,9,10,12)
InChIKeyNRSHTZICEUUHFO-UHFFFAOYSA-N
XLogP0.05
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamothioylamino)formamide?
The IUPAC name of N-(cyclopentylcarbamothioylamino)formamide (CID 17370921) is N-(cyclopentylcarbamothioylamino)formamide.
What is the SMILES notation for N-(cyclopentylcarbamothioylamino)formamide?
The canonical SMILES for N-(cyclopentylcarbamothioylamino)formamide is O=CNNC(=S)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamothioylamino)formamide?
The InChIKey is NRSHTZICEUUHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c11-5-8-10-7(12)9-6-3-1-2-4-6/h5-6H,1-4H2,(H,8,11)(H2,9,10,12).
What are the key properties of N-(cyclopentylcarbamothioylamino)formamide?
N-(cyclopentylcarbamothioylamino)formamide has a molecular weight of 187.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamothioylamino)formamide is sourced from PubChem (CID 17370921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).