1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine

C14H25N3O3S — CID 63562908

IUPAC1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)CC2=CCCCC2)C1
InChIInChI=1S/C14H25N3O3S/c15-21(19,20)16-10-13-7-4-8-17(11-13)14(18)9-12-5-2-1-3-6-12/h5,13,16H,1-4,6-11H2,(H2,15,19,20)
InChIKeyYFDNSNCQAXLIJZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.91
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine

1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 63562908) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine
PubChem CID63562908
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(C(=O)CC2=CCCCC2)C1
InChIInChI=1S/C14H25N3O3S/c15-21(19,20)16-10-13-7-4-8-17(11-13)14(18)9-12-5-2-1-3-6-12/h5,13,16H,1-4,6-11H2,(H2,15,19,20)
InChIKeyYFDNSNCQAXLIJZ-UHFFFAOYSA-N
XLogP0.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methylamino]acetic acid
CID 106813470
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 63563096
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
propan-2-yl 2-[(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]acetate
CID 129398630
5-oxo-5-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pentanoic acid
CID 60949864
1-(4-chlorophenyl)-N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 45225489
(3S)-1-[2-(cyclohexen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81126342
2-amino-N-[2-oxo-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]ethyl]acetamide
CID 60963858
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45229164
N-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 45236759
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
1-(2-propan-2-yloxyacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 112692537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine (CID 63562908) is 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NCC1CCCN(C(=O)CC2=CCCCC2)C1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is YFDNSNCQAXLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c15-21(19,20)16-10-13-7-4-8-17(11-13)14(18)9-12-5-2-1-3-6-12/h5,13,16H,1-4,6-11H2,(H2,15,19,20).
What are the key properties of 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine?
1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 315.44 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)acetyl]-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 63562908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).