(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol

C15H27N3O4S2+2 — CID 9449991

IUPAC(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol
SMILESO=S(=O)(c1cccs1)N1CC[NH+](C[C@@H](O)C[NH+]2CCOCC2)CC1
InChIInChI=1S/C15H25N3O4S2/c19-14(13-17-7-9-22-10-8-17)12-16-3-5-18(6-4-16)24(20,21)15-2-1-11-23-15/h1-2,11,14,19H,3-10,12-13H2/p+2/t14-/m1/s1
InChIKeyALUMQRGXNOVDMT-CQSZACIVSA-P
MW377.53 g/mol
LogP-3.09
Rot. Bonds6

About (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol

(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol (PubChem CID 9449991) has the molecular formula C15H27N3O4S2+2 and a molecular weight of 377.53 g/mol. Its IUPAC name is (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol
PubChem CID9449991
Molecular FormulaC15H27N3O4S2+2
Molecular Weight377.53 g/mol
Exact Mass377.14
IUPAC Name(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol
SMILESO=S(=O)(c1cccs1)N1CC[NH+](C[C@@H](O)C[NH+]2CCOCC2)CC1
InChIInChI=1S/C15H25N3O4S2/c19-14(13-17-7-9-22-10-8-17)12-16-3-5-18(6-4-16)24(20,21)15-2-1-11-23-15/h1-2,11,14,19H,3-10,12-13H2/p+2/t14-/m1/s1
InChIKeyALUMQRGXNOVDMT-CQSZACIVSA-P
XLogP-3.09
TPSA75.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 5-3.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 9322006
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
CID 8844908
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
2-methyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole
CID 8686777
N-benzhydryl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655781
N-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]acetamide
CID 8686905
1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
CID 7029027
1-thiophen-2-ylsulfonylpiperidine
CID 765823
(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 124992631
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one
CID 8686690
1-[2-(2-fluorophenyl)sulfanylethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
CID 8553395
N-(furan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745661

Frequently Asked Questions

What is the IUPAC name of (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol (CID 9449991) is (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol is O=S(=O)(c1cccs1)N1CC[NH+](C[C@@H](O)C[NH+]2CCOCC2)CC1.
What is the InChIKey of (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol?
The InChIKey is ALUMQRGXNOVDMT-CQSZACIVSA-P. The full InChI is InChI=1S/C15H25N3O4S2/c19-14(13-17-7-9-22-10-8-17)12-16-3-5-18(6-4-16)24(20,21)15-2-1-11-23-15/h1-2,11,14,19H,3-10,12-13H2/p+2/t14-/m1/s1.
What are the key properties of (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol?
(2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol has a molecular weight of 377.53 g/mol, XLogP of -3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-morpholin-4-ium-4-yl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol is sourced from PubChem (CID 9449991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).