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

C12H21N5OS — CID 52887765

IUPAC(2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1C)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-9(19-12-13-14-15-17(12)3)11(18)16(2)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyJHRKULAWPNLPCP-SECBINFHSA-N
MW283.40 g/mol
LogP1.48
Rot. Bonds4

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

(2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 52887765) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID52887765
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name(2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1C)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-9(19-12-13-14-15-17(12)3)11(18)16(2)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyJHRKULAWPNLPCP-SECBINFHSA-N
XLogP1.48
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 52887765) is (2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is C[C@@H](Sc1nnnn1C)C(=O)N(C)C1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is JHRKULAWPNLPCP-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-9(19-12-13-14-15-17(12)3)11(18)16(2)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
(2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 52887765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).