N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide

C14H26N2O3S — CID 164640103

IUPACN-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide
SMILESC[C@H]1CS(=O)(=O)CCN1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H26N2O3S/c1-12-11-20(18,19)9-8-16(12)10-14(17)15(2)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyPWQHTGTYIVZEQF-LBPRGKRZSA-N
MW302.44 g/mol
LogP0.90
Rot. Bonds3

About N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide

N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide (PubChem CID 164640103) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide
PubChem CID164640103
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide
SMILESC[C@H]1CS(=O)(=O)CCN1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H26N2O3S/c1-12-11-20(18,19)9-8-16(12)10-14(17)15(2)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyPWQHTGTYIVZEQF-LBPRGKRZSA-N
XLogP0.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide (CID 164640103) is N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide is C[C@H]1CS(=O)(=O)CCN1CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide?
The InChIKey is PWQHTGTYIVZEQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-12-11-20(18,19)9-8-16(12)10-14(17)15(2)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide?
N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide has a molecular weight of 302.44 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]acetamide is sourced from PubChem (CID 164640103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).