O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate

C19H26ClNOS — CID 156602644

IUPACO-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate
SMILESCCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C19H26ClNOS/c1-2-4-14-7-10-19(11-8-14)12-9-17(19)22-18(23)21-16-6-3-5-15(20)13-16/h3,5-6,13-14,17H,2,4,7-12H2,1H3,(H,21,23)/t14?,17-,19?/m0/s1
InChIKeyRRJGATUIKHKVMQ-KGYZHSKHSA-N
MW351.94 g/mol
LogP6.19
Rot. Bonds4

About O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate

O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate (PubChem CID 156602644) has the molecular formula C19H26ClNOS and a molecular weight of 351.94 g/mol. Its IUPAC name is O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate.

Molecular Properties

Compound NameO-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate
PubChem CID156602644
Molecular FormulaC19H26ClNOS
Molecular Weight351.94 g/mol
Exact Mass351.14
IUPAC NameO-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate
SMILESCCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C19H26ClNOS/c1-2-4-14-7-10-19(11-8-14)12-9-17(19)22-18(23)21-16-6-3-5-15(20)13-16/h3,5-6,13-14,17H,2,4,7-12H2,1H3,(H,21,23)/t14?,17-,19?/m0/s1
InChIKeyRRJGATUIKHKVMQ-KGYZHSKHSA-N
XLogP6.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.94
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
1-(3-chloroanilino)-4-propylcycloheptane-1-carbonitrile
CID 65088959
[(3R)-7-propylspiro[3.5]nonan-3-yl] N-(2-methoxyphenyl)carbamate
CID 156602687
methyl 1-(3-chloroanilino)-4-ethylcyclohexane-1-carboxylate
CID 63524804
1,1-dibutyl-3-(3-chlorophenyl)thiourea
CID 3807195
1-(3-chlorophenyl)-3-ethylthiourea
CID 872568
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
3-(3-chlorophenyl)-1,1-dimethylthiourea
CID 3667583
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989

Frequently Asked Questions

What is the IUPAC name of O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate?
The IUPAC name of O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate (CID 156602644) is O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate.
What is the SMILES notation for O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate?
The canonical SMILES for O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate is CCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1cccc(Cl)c1.
What is the InChIKey of O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate?
The InChIKey is RRJGATUIKHKVMQ-KGYZHSKHSA-N. The full InChI is InChI=1S/C19H26ClNOS/c1-2-4-14-7-10-19(11-8-14)12-9-17(19)22-18(23)21-16-6-3-5-15(20)13-16/h3,5-6,13-14,17H,2,4,7-12H2,1H3,(H,21,23)/t14?,17-,19?/m0/s1.
What are the key properties of O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate?
O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate has a molecular weight of 351.94 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate is sourced from PubChem (CID 156602644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).