1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine

C12H20N4O3S2 — CID 115286723

IUPAC1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNC(C(=O)N1CCCC(CNS(N)(=O)=O)C1)c1cccs1
InChIInChI=1S/C12H20N4O3S2/c13-11(10-4-2-6-20-10)12(17)16-5-1-3-9(8-16)7-15-21(14,18)19/h2,4,6,9,11,15H,1,3,5,7-8,13H2,(H2,14,18,19)
InChIKeyMUDQOVLWFFWNRP-UHFFFAOYSA-N
MW332.45 g/mol
LogP-0.22
Rot. Bonds5

About 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine

1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 115286723) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID115286723
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNC(C(=O)N1CCCC(CNS(N)(=O)=O)C1)c1cccs1
InChIInChI=1S/C12H20N4O3S2/c13-11(10-4-2-6-20-10)12(17)16-5-1-3-9(8-16)7-15-21(14,18)19/h2,4,6,9,11,15H,1,3,5,7-8,13H2,(H2,14,18,19)
InChIKeyMUDQOVLWFFWNRP-UHFFFAOYSA-N
XLogP-0.22
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97216650
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034
phenyl 3-[(sulfamoylamino)methyl]piperidine-1-carboxylate
CID 61132158
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 115287047
(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
CID 97218661
2-amino-1-(1,4-thiazepan-4-yl)-2-thiophen-2-ylethanone
CID 115287048
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
N-[[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 119314559
1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 79461060

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine (CID 115286723) is 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine is NC(C(=O)N1CCCC(CNS(N)(=O)=O)C1)c1cccs1.
What is the InChIKey of 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is MUDQOVLWFFWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c13-11(10-4-2-6-20-10)12(17)16-5-1-3-9(8-16)7-15-21(14,18)19/h2,4,6,9,11,15H,1,3,5,7-8,13H2,(H2,14,18,19).
What are the key properties of 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 332.45 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 115286723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).