N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H19N5OS — CID 2364972

IUPACN-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C11H19N5OS/c1-15(9-6-4-3-5-7-9)10(17)8-18-11-12-13-14-16(11)2/h9H,3-8H2,1-2H3
InChIKeyBSFLPVBVKFGYRX-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.09
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2364972) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2364972
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC NameN-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C11H19N5OS/c1-15(9-6-4-3-5-7-9)10(17)8-18-11-12-13-14-16(11)2/h9H,3-8H2,1-2H3
InChIKeyBSFLPVBVKFGYRX-UHFFFAOYSA-N
XLogP1.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Cyclopentyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1383741
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-cyclohexyl-acetamide
CID 3212939
N-(1-cyanocyclohexyl)-N-methyl-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 8022028
2-(1-Methyltetrazol-5-yl)sulfanyl-1-piperidin-1-ylethanone
CID 864616
N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2338857
N,N-Dicyclohexyl-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 645796
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N,N-diisopropyl-acetamide
CID 653196
N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 864617
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4838036
1-Piperidin-1-yl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452245
1-(2,6-Dimethyl-piperidin-1-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 3212929
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 3228975

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2364972) is N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CN(C(=O)CSc1nnnn1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is BSFLPVBVKFGYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-15(9-6-4-3-5-7-9)10(17)8-18-11-12-13-14-16(11)2/h9H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2364972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).