(3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C15H25N4O3S2+ — CID 9075254

IUPAC(3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESC[NH+]1CCN(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C15H24N4O3S2/c1-17-7-9-18(10-8-17)16-15(20)13-4-2-6-19(12-13)24(21,22)14-5-3-11-23-14/h3,5,11,13H,2,4,6-10,12H2,1H3,(H,16,20)/p+1/t13-/m1/s1
InChIKeyIPTYNXDYTZTCEX-CYBMUJFWSA-O
MW373.52 g/mol
LogP-0.99
Rot. Bonds4

About (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 9075254) has the molecular formula C15H25N4O3S2+ and a molecular weight of 373.52 g/mol. Its IUPAC name is (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID9075254
Molecular FormulaC15H25N4O3S2+
Molecular Weight373.52 g/mol
Exact Mass373.14
IUPAC Name(3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESC[NH+]1CCN(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C15H24N4O3S2/c1-17-7-9-18(10-8-17)16-15(20)13-4-2-6-19(12-13)24(21,22)14-5-3-11-23-14/h3,5,11,13H,2,4,6-10,12H2,1H3,(H,16,20)/p+1/t13-/m1/s1
InChIKeyIPTYNXDYTZTCEX-CYBMUJFWSA-O
XLogP-0.99
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide
CID 9205971
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3S)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 38017869
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43917011
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984
N-[2-[di(propan-2-yl)amino]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55451031

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 9075254) is (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is C[NH+]1CCN(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1.
What is the InChIKey of (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is IPTYNXDYTZTCEX-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H24N4O3S2/c1-17-7-9-18(10-8-17)16-15(20)13-4-2-6-19(12-13)24(21,22)14-5-3-11-23-14/h3,5,11,13H,2,4,6-10,12H2,1H3,(H,16,20)/p+1/t13-/m1/s1.
What are the key properties of (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 373.52 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 9075254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).