N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide

C11H18N6O2S — CID 47134608

IUPACN-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
SMILESNC(=O)NC(=O)CCSc1nnnn1C1CCCCC1
InChIInChI=1S/C11H18N6O2S/c12-10(19)13-9(18)6-7-20-11-14-15-16-17(11)8-4-2-1-3-5-8/h8H,1-7H2,(H3,12,13,18,19)
InChIKeyCBIQEIKEKLGQQB-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.86
Rot. Bonds5

About N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide

N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 47134608) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
PubChem CID47134608
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC NameN-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
SMILESNC(=O)NC(=O)CCSc1nnnn1C1CCCCC1
InChIInChI=1S/C11H18N6O2S/c12-10(19)13-9(18)6-7-20-11-14-15-16-17(11)8-4-2-1-3-5-8/h8H,1-7H2,(H3,12,13,18,19)
InChIKeyCBIQEIKEKLGQQB-UHFFFAOYSA-N
XLogP0.86
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide 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

3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
ethyl 3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 43242945
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 115659166
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
N-(1,3-benzodioxol-5-yl)-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 46403946
N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 52546923
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
CID 63035729
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide (CID 47134608) is N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide is NC(=O)NC(=O)CCSc1nnnn1C1CCCCC1.
What is the InChIKey of N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is CBIQEIKEKLGQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c12-10(19)13-9(18)6-7-20-11-14-15-16-17(11)8-4-2-1-3-5-8/h8H,1-7H2,(H3,12,13,18,19).
What are the key properties of N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 298.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 47134608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).