[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea

C11H18N4O3S2 — CID 61300187

IUPAC[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(S(=O)(=O)c2cc(N)cs2)C1
InChIInChI=1S/C11H18N4O3S2/c12-9-4-10(19-7-9)20(17,18)15-3-1-2-8(6-15)5-14-11(13)16/h4,7-8H,1-3,5-6,12H2,(H3,13,14,16)
InChIKeyFVXOZIWTZXHDAW-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.40
Rot. Bonds4

About [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea

[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea (PubChem CID 61300187) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
PubChem CID61300187
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(S(=O)(=O)c2cc(N)cs2)C1
InChIInChI=1S/C11H18N4O3S2/c12-9-4-10(19-7-9)20(17,18)15-3-1-2-8(6-15)5-14-11(13)16/h4,7-8H,1-3,5-6,12H2,(H3,13,14,16)
InChIKeyFVXOZIWTZXHDAW-UHFFFAOYSA-N
XLogP0.40
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methylurea
CID 79998589
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43430408
N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
CID 42355799
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 61298632
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
[(3S)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]methylurea
CID 94190626
4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide
CID 131910809
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophen-3-amine
CID 65319002
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 63605065
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea?
The IUPAC name of [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea (CID 61300187) is [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea.
What is the SMILES notation for [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea?
The canonical SMILES for [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea is NC(=O)NCC1CCCN(S(=O)(=O)c2cc(N)cs2)C1.
What is the InChIKey of [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea?
The InChIKey is FVXOZIWTZXHDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c12-9-4-10(19-7-9)20(17,18)15-3-1-2-8(6-15)5-14-11(13)16/h4,7-8H,1-3,5-6,12H2,(H3,13,14,16).
What are the key properties of [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea?
[1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea has a molecular weight of 318.42 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminothiophen-2-yl)sulfonylpiperidin-3-yl]methylurea is sourced from PubChem (CID 61300187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).