N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide

C19H33N5OS — CID 54145386

IUPACN-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide
SMILESCn1nnnc1CCCC(=S)N(CC1CCCCC1)C1CCC(O)CC1
InChIInChI=1S/C19H33N5OS/c1-23-18(20-21-22-23)8-5-9-19(26)24(14-15-6-3-2-4-7-15)16-10-12-17(25)13-11-16/h15-17,25H,2-14H2,1H3
InChIKeyOEADPVJJDMAVCA-UHFFFAOYSA-N
MW379.57 g/mol
LogP3.05
Rot. Bonds7

About N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide

N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide (PubChem CID 54145386) has the molecular formula C19H33N5OS and a molecular weight of 379.57 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide
PubChem CID54145386
Molecular FormulaC19H33N5OS
Molecular Weight379.57 g/mol
Exact Mass379.24
IUPAC NameN-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide
SMILESCn1nnnc1CCCC(=S)N(CC1CCCCC1)C1CCC(O)CC1
InChIInChI=1S/C19H33N5OS/c1-23-18(20-21-22-23)8-5-9-19(26)24(14-15-6-3-2-4-7-15)16-10-12-17(25)13-11-16/h15-17,25H,2-14H2,1H3
InChIKeyOEADPVJJDMAVCA-UHFFFAOYSA-N
XLogP3.05
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide 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

N-ethyl-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide
CID 21295521
N-(cyclohexylmethyl)-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]-N-methylbutanethioamide
CID 53707754
N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanethioamide
CID 53869691
N-(4-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-(1-methyltetrazol-5-yl)butanethioamide
CID 53870326
4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]-N-(4-methoxycyclohexyl)-N-methylbutanethioamide
CID 53991974
N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanethioamide
CID 54051382
4-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(4-hydroxycyclohexyl)butanethioamide
CID 54365474
N-(cyclohexylmethyl)-4-(1-cyclohexyltetrazol-5-yl)-N-(2-hydroxyethyl)butanethioamide
CID 54540518
N-(4-hydroxycyclohexyl)-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]-N-methylbutanethioamide
CID 88649431
N,N-bis(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide
CID 88649549
N,N-bis(4-methoxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide
CID 88650019
Cyclohexyl-(4-hydroxycyclohexyl)-methyl-[4-(1-methyltetrazol-5-yl)butanethioyl]azanium
CID 88700462

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide?
The IUPAC name of N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide (CID 54145386) is N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide is Cn1nnnc1CCCC(=S)N(CC1CCCCC1)C1CCC(O)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide?
The InChIKey is OEADPVJJDMAVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5OS/c1-23-18(20-21-22-23)8-5-9-19(26)24(14-15-6-3-2-4-7-15)16-10-12-17(25)13-11-16/h15-17,25H,2-14H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide?
N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide has a molecular weight of 379.57 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)-4-(1-methyltetrazol-5-yl)butanethioamide is sourced from PubChem (CID 54145386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).