tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate

C15H26N2O5S — CID 99809956

IUPACtert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H26N2O5S/c1-15(2,3)22-14(19)16-12-6-4-5-11(12)13(18)17-7-9-23(20,21)10-8-17/h11-12H,4-10H2,1-3H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyXJKFEBMHKDJPEL-VXGBXAGGSA-N
MW346.45 g/mol
LogP0.94
Rot. Bonds2

About tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate

tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate (PubChem CID 99809956) has the molecular formula C15H26N2O5S and a molecular weight of 346.45 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate
PubChem CID99809956
Molecular FormulaC15H26N2O5S
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC Nametert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H26N2O5S/c1-15(2,3)22-14(19)16-12-6-4-5-11(12)13(18)17-7-9-23(20,21)10-8-17/h11-12H,4-10H2,1-3H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyXJKFEBMHKDJPEL-VXGBXAGGSA-N
XLogP0.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate
CID 102559856
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
ethyl 2-[1-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]piperidin-4-yl]acetate
CID 67036333
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate
CID 70194445
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
CID 104701394
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate (CID 99809956) is tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate?
The InChIKey is XJKFEBMHKDJPEL-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H26N2O5S/c1-15(2,3)22-14(19)16-12-6-4-5-11(12)13(18)17-7-9-23(20,21)10-8-17/h11-12H,4-10H2,1-3H3,(H,16,19)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate?
tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate has a molecular weight of 346.45 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate is sourced from PubChem (CID 99809956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).