(1-butylcyclopentyl)sulfanylurea

C10H20N2OS — CID 174685143

IUPAC(1-butylcyclopentyl)sulfanylurea
SMILESCCCCC1(SNC(N)=O)CCCC1
InChIInChI=1S/C10H20N2OS/c1-2-3-6-10(7-4-5-8-10)14-12-9(11)13/h2-8H2,1H3,(H3,11,12,13)
InChIKeyAJBNRTOUKDNXLX-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.81
Rot. Bonds5

About (1-butylcyclopentyl)sulfanylurea

(1-butylcyclopentyl)sulfanylurea (PubChem CID 174685143) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (1-butylcyclopentyl)sulfanylurea.

Molecular Properties

Compound Name(1-butylcyclopentyl)sulfanylurea
PubChem CID174685143
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(1-butylcyclopentyl)sulfanylurea
SMILESCCCCC1(SNC(N)=O)CCCC1
InChIInChI=1S/C10H20N2OS/c1-2-3-6-10(7-4-5-8-10)14-12-9(11)13/h2-8H2,1H3,(H3,11,12,13)
InChIKeyAJBNRTOUKDNXLX-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butylcyclohexane-1-carboxamide
CID 57018178
1-butylcyclobutane-1-carbothioamide
CID 145047182
butylaminosulfanylurea
CID 174849545
(1-butylcyclopentyl) 2-methylbutanoate
CID 58776787
ethyl 1-butylcyclohexane-1-carboxylate
CID 22016316
N-(1-carbamothioylcyclopentyl)hexanamide
CID 61121113
1-decylcyclobutane-1-carboxamide
CID 10037267
1-pentylcyclohexane-1-carboxylate
CID 22407698
[1-[(2S)-heptan-2-yl]cyclohexyl]urea
CID 143105334
1-butylcyclohexan-1-amine
CID 13182498
N-(1-carbamothioylcyclohexyl)heptanamide
CID 114752752
N-(1-carbamothioylcyclohexyl)octanamide
CID 61120541

Frequently Asked Questions

What is the IUPAC name of (1-butylcyclopentyl)sulfanylurea?
The IUPAC name of (1-butylcyclopentyl)sulfanylurea (CID 174685143) is (1-butylcyclopentyl)sulfanylurea.
What is the SMILES notation for (1-butylcyclopentyl)sulfanylurea?
The canonical SMILES for (1-butylcyclopentyl)sulfanylurea is CCCCC1(SNC(N)=O)CCCC1.
What is the InChIKey of (1-butylcyclopentyl)sulfanylurea?
The InChIKey is AJBNRTOUKDNXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-3-6-10(7-4-5-8-10)14-12-9(11)13/h2-8H2,1H3,(H3,11,12,13).
What are the key properties of (1-butylcyclopentyl)sulfanylurea?
(1-butylcyclopentyl)sulfanylurea has a molecular weight of 216.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclopentyl)sulfanylurea is sourced from PubChem (CID 174685143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).