N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide

C14H26N6S — CID 21295299

IUPACN-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide
SMILESCN(C)C1CCC(NC(=S)CCCc2nnnn2C)CC1
InChIInChI=1S/C14H26N6S/c1-19(2)12-9-7-11(8-10-12)15-14(21)6-4-5-13-16-17-18-20(13)3/h11-12H,4-10H2,1-3H3,(H,15,21)
InChIKeyCASODTSKFQYZBO-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.32
Rot. Bonds6

About N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide

N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide (PubChem CID 21295299) has the molecular formula C14H26N6S and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide
PubChem CID21295299
Molecular FormulaC14H26N6S
Molecular Weight310.47 g/mol
Exact Mass310.19
IUPAC NameN-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide
SMILESCN(C)C1CCC(NC(=S)CCCc2nnnn2C)CC1
InChIInChI=1S/C14H26N6S/c1-19(2)12-9-7-11(8-10-12)15-14(21)6-4-5-13-16-17-18-20(13)3/h11-12H,4-10H2,1-3H3,(H,15,21)
InChIKeyCASODTSKFQYZBO-UHFFFAOYSA-N
XLogP1.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(dimethylamino)cyclohexyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide?
The IUPAC name of N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide (CID 21295299) is N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide.
What is the SMILES notation for N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide?
The canonical SMILES for N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide is CN(C)C1CCC(NC(=S)CCCc2nnnn2C)CC1.
What is the InChIKey of N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide?
The InChIKey is CASODTSKFQYZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6S/c1-19(2)12-9-7-11(8-10-12)15-14(21)6-4-5-13-16-17-18-20(13)3/h11-12H,4-10H2,1-3H3,(H,15,21).
What are the key properties of N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide?
N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide has a molecular weight of 310.47 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)cyclohexyl]-4-(1-methyltetrazol-5-yl)butanethioamide is sourced from PubChem (CID 21295299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).