(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide

C12H18N2O3S2 — CID 97218661

IUPAC(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
SMILESC[C@@H](C(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1cccs1
InChIInChI=1S/C12H18N2O3S2/c1-9(11-5-3-7-18-11)12(15)14-6-2-4-10(8-14)19(13,16)17/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,13,16,17)/t9-,10-/m1/s1
InChIKeyMVHFSIUZKBKHKR-NXEZZACHSA-N
MW302.42 g/mol
LogP1.13
Rot. Bonds3

About (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide

(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide (PubChem CID 97218661) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
PubChem CID97218661
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
SMILESC[C@@H](C(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1cccs1
InChIInChI=1S/C12H18N2O3S2/c1-9(11-5-3-7-18-11)12(15)14-6-2-4-10(8-14)19(13,16)17/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,13,16,17)/t9-,10-/m1/s1
InChIKeyMVHFSIUZKBKHKR-NXEZZACHSA-N
XLogP1.13
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
CID 127778958
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
3-[(3R)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidin-3-yl]propanoic acid
CID 124689811
(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95773697
1-(2-methoxypropanoyl)piperidine-3-sulfonamide
CID 115643260
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
CID 62098751
1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115286723
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
1-(2-phenylsulfanylacetyl)piperidine-3-sulfonamide
CID 79001409
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide?
The IUPAC name of (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide (CID 97218661) is (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide?
The canonical SMILES for (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide is C[C@@H](C(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1cccs1.
What is the InChIKey of (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide?
The InChIKey is MVHFSIUZKBKHKR-NXEZZACHSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-9(11-5-3-7-18-11)12(15)14-6-2-4-10(8-14)19(13,16)17/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,13,16,17)/t9-,10-/m1/s1.
What are the key properties of (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide?
(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide is sourced from PubChem (CID 97218661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).