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

C10H17N5OS — CID 37044918

IUPAC3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
SMILESNC(=O)CCSc1nnnn1C1CCCCC1
InChIInChI=1S/C10H17N5OS/c11-9(16)6-7-17-10-12-13-14-15(10)8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,16)
InChIKeyTUOJZFKEQOWPHS-UHFFFAOYSA-N
MW255.35 g/mol
LogP1.15
Rot. Bonds5

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

3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 37044918) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
PubChem CID37044918
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
SMILESNC(=O)CCSc1nnnn1C1CCCCC1
InChIInChI=1S/C10H17N5OS/c11-9(16)6-7-17-10-12-13-14-15(10)8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,16)
InChIKeyTUOJZFKEQOWPHS-UHFFFAOYSA-N
XLogP1.15
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 47134608
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 115659166
ethyl 3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 43242945
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
methyl 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-(ethylamino)butanoate
CID 63035729
N-(1,3-benzodioxol-5-yl)-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 46403946
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
CID 43445911
N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 52546923

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of 3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide (CID 37044918) is 3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for 3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for 3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide is NC(=O)CCSc1nnnn1C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is TUOJZFKEQOWPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c11-9(16)6-7-17-10-12-13-14-15(10)8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,16).
What are the key properties of 3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide?
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 255.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 37044918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).