N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide

C18H31N5O2S — CID 21295423

IUPACN-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide
SMILESCOC1CCC(n2nnnc2SCCCC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H31N5O2S/c1-25-16-11-9-15(10-12-16)23-18(20-21-22-23)26-13-5-8-17(24)19-14-6-3-2-4-7-14/h14-16H,2-13H2,1H3,(H,19,24)
InChIKeyYMSPHZAOVCLUSW-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.12
Rot. Bonds8

About N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide

N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide (PubChem CID 21295423) has the molecular formula C18H31N5O2S and a molecular weight of 381.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide
PubChem CID21295423
Molecular FormulaC18H31N5O2S
Molecular Weight381.55 g/mol
Exact Mass381.22
IUPAC NameN-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide
SMILESCOC1CCC(n2nnnc2SCCCC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H31N5O2S/c1-25-16-11-9-15(10-12-16)23-18(20-21-22-23)26-13-5-8-17(24)19-14-6-3-2-4-7-14/h14-16H,2-13H2,1H3,(H,19,24)
InChIKeyYMSPHZAOVCLUSW-UHFFFAOYSA-N
XLogP3.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
N-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine
CID 62578082
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 47134608
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
ethyl 3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 43242945
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
CID 43445911
methyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethylbut-2-enoate
CID 77100815
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
methyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 63033609

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide?
The IUPAC name of N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide (CID 21295423) is N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide.
What is the SMILES notation for N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide?
The canonical SMILES for N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide is COC1CCC(n2nnnc2SCCCC(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide?
The InChIKey is YMSPHZAOVCLUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2S/c1-25-16-11-9-15(10-12-16)23-18(20-21-22-23)26-13-5-8-17(24)19-14-6-3-2-4-7-14/h14-16H,2-13H2,1H3,(H,19,24).
What are the key properties of N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide?
N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide has a molecular weight of 381.55 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-(4-methoxycyclohexyl)tetrazol-5-yl]sulfanylbutanamide is sourced from PubChem (CID 21295423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).