(2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C18H30N2O3S — CID 99590563

IUPAC(2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCC23CC4CC(CC(C4)C2)C3)CCS1(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-13-12-20(4-5-24(13,22)23)17(21)19-3-2-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3,(H,19,21)/t13-,14?,15?,16?,18?/m0/s1
InChIKeyJTUABBYMPMRZGL-IILDEKEXSA-N
MW354.52 g/mol
LogP2.42
Rot. Bonds3

About (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

(2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 99590563) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID99590563
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name(2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCCC23CC4CC(CC(C4)C2)C3)CCS1(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-13-12-20(4-5-24(13,22)23)17(21)19-3-2-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3,(H,19,21)/t13-,14?,15?,16?,18?/m0/s1
InChIKeyJTUABBYMPMRZGL-IILDEKEXSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543595
N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 154758945
3-azabicyclo[3.1.0]hexan-3-yl-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 166258794
N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
CID 23766189
1-[(2R)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]prop-2-en-1-one
CID 136588916
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 2921835
(2S)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 138055627
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide
CID 23968567
N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide
CID 47230622
4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide
CID 51074621
(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543593

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 99590563) is (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is C[C@H]1CN(C(=O)NCCC23CC4CC(CC(C4)C2)C3)CCS1(=O)=O.
What is the InChIKey of (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is JTUABBYMPMRZGL-IILDEKEXSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-13-12-20(4-5-24(13,22)23)17(21)19-3-2-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3,(H,19,21)/t13-,14?,15?,16?,18?/m0/s1.
What are the key properties of (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
(2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 354.52 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1-adamantyl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 99590563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).