(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine

C14H22N2O3S2 — CID 99840275

IUPAC(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
SMILESCC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)C3CC3)CCO2)n1
InChIInChI=1S/C14H22N2O3S2/c1-14(2,3)12-9-20-13(15-12)11-8-16(6-7-19-11)21(17,18)10-4-5-10/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyKVLHBCVGZJYXBI-NSHDSACASA-N
MW330.48 g/mol
LogP2.31
Rot. Bonds3

About (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine

(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine (PubChem CID 99840275) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
PubChem CID99840275
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
SMILESCC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)C3CC3)CCO2)n1
InChIInChI=1S/C14H22N2O3S2/c1-14(2,3)12-9-20-13(15-12)11-8-16(6-7-19-11)21(17,18)10-4-5-10/h9-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyKVLHBCVGZJYXBI-NSHDSACASA-N
XLogP2.31
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124726438
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996
3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile
CID 86772841
(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 124880284
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95144845
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
CID 100683282
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 94782519
(2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 125011329
4-acetyl-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 133457235
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide
CID 128641736

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine?
The IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine (CID 99840275) is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine.
What is the SMILES notation for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine?
The canonical SMILES for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine is CC(C)(C)c1csc([C@@H]2CN(S(=O)(=O)C3CC3)CCO2)n1.
What is the InChIKey of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine?
The InChIKey is KVLHBCVGZJYXBI-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-14(2,3)12-9-20-13(15-12)11-8-16(6-7-19-11)21(17,18)10-4-5-10/h9-11H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine?
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine has a molecular weight of 330.48 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine is sourced from PubChem (CID 99840275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).