N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C17H29N5OS — CID 645796

IUPACN,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H29N5OS/c1-2-21-17(18-19-20-21)24-13-16(23)22(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3
InChIKeyVHPOIZXYCKOCRC-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.28
Rot. Bonds6

About N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 645796) has the molecular formula C17H29N5OS and a molecular weight of 351.52 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID645796
Molecular FormulaC17H29N5OS
Molecular Weight351.52 g/mol
Exact Mass351.21
IUPAC NameN,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H29N5OS/c1-2-21-17(18-19-20-21)24-13-16(23)22(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3
InChIKeyVHPOIZXYCKOCRC-UHFFFAOYSA-N
XLogP3.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 645796) is N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is VHPOIZXYCKOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS/c1-2-21-17(18-19-20-21)24-13-16(23)22(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 351.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 645796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).