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

C19H33N5S — CID 54240350

IUPACN-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide
SMILESCn1nnnc1CCCC(=S)N(CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33N5S/c1-23-18(20-21-22-23)13-8-14-19(25)24(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h16-17H,2-15H2,1H3
InChIKeyQPOGYOPIHBUFGK-UHFFFAOYSA-N
MW363.58 g/mol
LogP4.08
Rot. Bonds7

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

N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide (PubChem CID 54240350) has the molecular formula C19H33N5S and a molecular weight of 363.58 g/mol. Its IUPAC name is N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide
PubChem CID54240350
Molecular FormulaC19H33N5S
Molecular Weight363.58 g/mol
Exact Mass363.25
IUPAC NameN-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide
SMILESCn1nnnc1CCCC(=S)N(CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33N5S/c1-23-18(20-21-22-23)13-8-14-19(25)24(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h16-17H,2-15H2,1H3
InChIKeyQPOGYOPIHBUFGK-UHFFFAOYSA-N
XLogP4.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide?
The IUPAC name of N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide (CID 54240350) is N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide.
What is the SMILES notation for N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide?
The canonical SMILES for N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide is Cn1nnnc1CCCC(=S)N(CC1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide?
The InChIKey is QPOGYOPIHBUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5S/c1-23-18(20-21-22-23)13-8-14-19(25)24(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h16-17H,2-15H2,1H3.
What are the key properties of N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide?
N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide has a molecular weight of 363.58 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(cyclohexylmethyl)-4-(1-methyltetrazol-5-yl)butanethioamide is sourced from PubChem (CID 54240350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).