1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine

C12H25N3O4S2 — CID 61132450

IUPAC1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C12H25N3O4S2/c13-21(18,19)14-9-11-5-4-8-15(10-11)20(16,17)12-6-2-1-3-7-12/h11-12,14H,1-10H2,(H2,13,18,19)
InChIKeyISMHDNZNZZJESE-UHFFFAOYSA-N
MW339.48 g/mol
LogP0.15
Rot. Bonds5

About 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine

1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 61132450) has the molecular formula C12H25N3O4S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
PubChem CID61132450
Molecular FormulaC12H25N3O4S2
Molecular Weight339.48 g/mol
Exact Mass339.13
IUPAC Name1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C12H25N3O4S2/c13-21(18,19)14-9-11-5-4-8-15(10-11)20(16,17)12-6-2-1-3-7-12/h11-12,14H,1-10H2,(H2,13,18,19)
InChIKeyISMHDNZNZZJESE-UHFFFAOYSA-N
XLogP0.15
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62048466
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 154789563
N-[(1-cyclohexylsulfonylpiperidin-3-yl)methyl]-2-methoxyethanamine
CID 63879288
3-(2-chloroethyl)-1-cyclohexylsulfonylpiperidine
CID 63400590
1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63246538
(3R)-1-[(1R,2R)-2-cyclohexylcyclopropanecarbonyl]-3-[(sulfamoylamino)methyl]piperidine
CID 100907653
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241472
1-(2-cyclobutylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 113244692
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 62083891
(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
CID 62370983
2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine (CID 61132450) is 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NCC1CCCN(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is ISMHDNZNZZJESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S2/c13-21(18,19)14-9-11-5-4-8-15(10-11)20(16,17)12-6-2-1-3-7-12/h11-12,14H,1-10H2,(H2,13,18,19).
What are the key properties of 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine?
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 339.48 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 61132450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).