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

C12H21N5OS — CID 71820905

IUPACN-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCn1nnnc1SC(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-12(2,19-11-14-15-16-17(11)3)10(18)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,18)
InChIKeyJIIYZNFCJHXZDC-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.53
Rot. Bonds4

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

N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 71820905) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID71820905
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCn1nnnc1SC(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-12(2,19-11-14-15-16-17(11)3)10(18)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,18)
InChIKeyJIIYZNFCJHXZDC-UHFFFAOYSA-N
XLogP1.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 71820905) is N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is Cn1nnnc1SC(C)(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is JIIYZNFCJHXZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-12(2,19-11-14-15-16-17(11)3)10(18)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,18).
What are the key properties of N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 71820905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).