(2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide

C16H24N2O3S2 — CID 96561983

IUPAC(2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C16H24N2O3S2/c1-14(22-13-15-5-3-2-4-6-15)16(19)17-7-8-18-9-11-23(20,21)12-10-18/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyIDWFSPGWADYFSN-CQSZACIVSA-N
MW356.51 g/mol
LogP1.15
Rot. Bonds7

About (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide

(2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide (PubChem CID 96561983) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
PubChem CID96561983
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name(2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C16H24N2O3S2/c1-14(22-13-15-5-3-2-4-6-15)16(19)17-7-8-18-9-11-23(20,21)12-10-18/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyIDWFSPGWADYFSN-CQSZACIVSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
CID 94174701
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(2R)-2-benzylsulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 9459483
(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide
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2-benzyl-3-(2-benzylsulfanylpropanoylamino)propanoic acid
CID 119233768
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
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(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
CID 119953269
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95335268
(2S)-2-benzylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 52646335

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide (CID 96561983) is (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide is C[C@@H](SCc1ccccc1)C(=O)NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide?
The InChIKey is IDWFSPGWADYFSN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-14(22-13-15-5-3-2-4-6-15)16(19)17-7-8-18-9-11-23(20,21)12-10-18/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide?
(2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide has a molecular weight of 356.51 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide is sourced from PubChem (CID 96561983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).