4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide

C9H14N4O3S2 — CID 61140085

IUPAC4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide
SMILESNc1ccsc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H14N4O3S2/c10-7-1-6-17-8(7)9(14)12-2-4-13(5-3-12)18(11,15)16/h1,6H,2-5,10H2,(H2,11,15,16)
InChIKeyABCUNDGWVBNMTA-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.71
Rot. Bonds2

About 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide

4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide (PubChem CID 61140085) has the molecular formula C9H14N4O3S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide
PubChem CID61140085
Molecular FormulaC9H14N4O3S2
Molecular Weight290.37 g/mol
Exact Mass290.05
IUPAC Name4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide
SMILESNc1ccsc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H14N4O3S2/c10-7-1-6-17-8(7)9(14)12-2-4-13(5-3-12)18(11,15)16/h1,6H,2-5,10H2,(H2,11,15,16)
InChIKeyABCUNDGWVBNMTA-UHFFFAOYSA-N
XLogP-0.71
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 61109752
(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63157037
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 61105540
(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407063
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61115182
tert-butyl 4-(3-aminothiophene-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 104933216
4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide
CID 61130893
4-(3-aminothiophene-2-carbonyl)piperazin-2-one
CID 61090174
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166059
(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63604493
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61109066

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide (CID 61140085) is 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide is Nc1ccsc1C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide?
The InChIKey is ABCUNDGWVBNMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S2/c10-7-1-6-17-8(7)9(14)12-2-4-13(5-3-12)18(11,15)16/h1,6H,2-5,10H2,(H2,11,15,16).
What are the key properties of 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide?
4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide has a molecular weight of 290.37 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61140085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).