(2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide

C14H26N2O3S — CID 95144095

IUPAC(2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H26N2O3S/c1-2-13(16-8-10-20(18,19)11-9-16)14(17)15-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeySXDDCMPRWOUHFD-ZDUSSCGKSA-N
MW302.44 g/mol
LogP0.94
Rot. Bonds4

About (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide

(2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide (PubChem CID 95144095) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide
PubChem CID95144095
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name(2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H26N2O3S/c1-2-13(16-8-10-20(18,19)11-9-16)14(17)15-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeySXDDCMPRWOUHFD-ZDUSSCGKSA-N
XLogP0.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide (CID 95144095) is (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide is CC[C@@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide?
The InChIKey is SXDDCMPRWOUHFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-13(16-8-10-20(18,19)11-9-16)14(17)15-12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide?
(2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide has a molecular weight of 302.44 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)butanamide is sourced from PubChem (CID 95144095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).