(1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide

C14H25N3O4S — CID 122566142

IUPAC(1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide
SMILESCOCC1CCN(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)CC1
InChIInChI=1S/C14H25N3O4S/c1-21-10-11-6-8-17(9-7-11)22(19,20)16-13-5-3-2-4-12(13)14(15)18/h2-3,11-13,16H,4-10H2,1H3,(H2,15,18)/t12-,13-/m1/s1
InChIKeyQLSUQQPBYNKWHO-CHWSQXEVSA-N
MW331.44 g/mol
LogP-0.00
Rot. Bonds6

About (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide

(1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide (PubChem CID 122566142) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide
PubChem CID122566142
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC Name(1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide
SMILESCOCC1CCN(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)CC1
InChIInChI=1S/C14H25N3O4S/c1-21-10-11-6-8-17(9-7-11)22(19,20)16-13-5-3-2-4-12(13)14(15)18/h2-3,11-13,16H,4-10H2,1H3,(H2,15,18)/t12-,13-/m1/s1
InChIKeyQLSUQQPBYNKWHO-CHWSQXEVSA-N
XLogP-0.00
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131913968
(1S,6R)-6-[4-(methoxymethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962457
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
1-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxylic acid
CID 64568646
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63973091
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131950598
4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide
CID 170395201
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131940167
4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide
CID 122561984
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
CID 63979413
(2S)-5-amino-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63979419

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide (CID 122566142) is (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide is COCC1CCN(S(=O)(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)CC1.
What is the InChIKey of (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide?
The InChIKey is QLSUQQPBYNKWHO-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-21-10-11-6-8-17(9-7-11)22(19,20)16-13-5-3-2-4-12(13)14(15)18/h2-3,11-13,16H,4-10H2,1H3,(H2,15,18)/t12-,13-/m1/s1.
What are the key properties of (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide?
(1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 122566142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).