(3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine

C13H22N4O3S2 — CID 66582844

IUPAC(3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine
SMILESC[C@H]1COCCN1C[C@H]1CN(S(=O)(=O)c2nccs2)CCN1
InChIInChI=1S/C13H22N4O3S2/c1-11-10-20-6-5-16(11)8-12-9-17(4-2-14-12)22(18,19)13-15-3-7-21-13/h3,7,11-12,14H,2,4-6,8-10H2,1H3/t11-,12-/m0/s1
InChIKeyCUZBMFODUZOJHN-RYUDHWBXSA-N
MW346.48 g/mol
LogP-0.17
Rot. Bonds4

About (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine

(3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine (PubChem CID 66582844) has the molecular formula C13H22N4O3S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine
PubChem CID66582844
Molecular FormulaC13H22N4O3S2
Molecular Weight346.48 g/mol
Exact Mass346.11
IUPAC Name(3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine
SMILESC[C@H]1COCCN1C[C@H]1CN(S(=O)(=O)c2nccs2)CCN1
InChIInChI=1S/C13H22N4O3S2/c1-11-10-20-6-5-16(11)8-12-9-17(4-2-14-12)22(18,19)13-15-3-7-21-13/h3,7,11-12,14H,2,4-6,8-10H2,1H3/t11-,12-/m0/s1
InChIKeyCUZBMFODUZOJHN-RYUDHWBXSA-N
XLogP-0.17
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine?
The IUPAC name of (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine (CID 66582844) is (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine.
What is the SMILES notation for (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine?
The canonical SMILES for (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine is C[C@H]1COCCN1C[C@H]1CN(S(=O)(=O)c2nccs2)CCN1.
What is the InChIKey of (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine?
The InChIKey is CUZBMFODUZOJHN-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22N4O3S2/c1-11-10-20-6-5-16(11)8-12-9-17(4-2-14-12)22(18,19)13-15-3-7-21-13/h3,7,11-12,14H,2,4-6,8-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine?
(3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine has a molecular weight of 346.48 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-[[(2S)-4-(1,3-thiazol-2-ylsulfonyl)piperazin-2-yl]methyl]morpholine is sourced from PubChem (CID 66582844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).