1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide

C17H28N6O2S — CID 55982309

IUPAC1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CSc2nnnn2C2CC2)CCCCC1
InChIInChI=1S/C17H28N6O2S/c1-3-22(4-2)15(25)17(10-6-5-7-11-17)18-14(24)12-26-16-19-20-21-23(16)13-8-9-13/h13H,3-12H2,1-2H3,(H,18,24)
InChIKeyONTYINQLCOCFBZ-UHFFFAOYSA-N
MW380.52 g/mol
LogP1.79
Rot. Bonds8

About 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide

1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide (PubChem CID 55982309) has the molecular formula C17H28N6O2S and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
PubChem CID55982309
Molecular FormulaC17H28N6O2S
Molecular Weight380.52 g/mol
Exact Mass380.20
IUPAC Name1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CSc2nnnn2C2CC2)CCCCC1
InChIInChI=1S/C17H28N6O2S/c1-3-22(4-2)15(25)17(10-6-5-7-11-17)18-14(24)12-26-16-19-20-21-23(16)13-8-9-13/h13H,3-12H2,1-2H3,(H,18,24)
InChIKeyONTYINQLCOCFBZ-UHFFFAOYSA-N
XLogP1.79
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094340
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362685
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]acetic acid
CID 54900172
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751551
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62516881
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43422824
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61145200
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 51259000

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide (CID 55982309) is 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NC(=O)CSc2nnnn2C2CC2)CCCCC1.
What is the InChIKey of 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide?
The InChIKey is ONTYINQLCOCFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2S/c1-3-22(4-2)15(25)17(10-6-5-7-11-17)18-14(24)12-26-16-19-20-21-23(16)13-8-9-13/h13H,3-12H2,1-2H3,(H,18,24).
What are the key properties of 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide?
1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide is sourced from PubChem (CID 55982309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).