1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine

C14H27N3O2S — CID 166276381

IUPAC1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine
SMILESNS(=O)(=O)NC1CCN(C2CCC3(CCCC3)C2)CC1
InChIInChI=1S/C14H27N3O2S/c15-20(18,19)16-12-4-9-17(10-5-12)13-3-8-14(11-13)6-1-2-7-14/h12-13,16H,1-11H2,(H2,15,18,19)
InChIKeyJTQBYLRYGSIZIR-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.36
Rot. Bonds3

About 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine

1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine (PubChem CID 166276381) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine.

Molecular Properties

Compound Name1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine
PubChem CID166276381
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine
SMILESNS(=O)(=O)NC1CCN(C2CCC3(CCCC3)C2)CC1
InChIInChI=1S/C14H27N3O2S/c15-20(18,19)16-12-4-9-17(10-5-12)13-3-8-14(11-13)6-1-2-7-14/h12-13,16H,1-11H2,(H2,15,18,19)
InChIKeyJTQBYLRYGSIZIR-UHFFFAOYSA-N
XLogP1.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(sulfamoylamino)cyclopropane
CID 21041394
N-(1-cyclopentylpiperidin-4-yl)ethanesulfonamide
CID 110752084
1-propan-2-yl-4-(sulfamoylamino)piperidine
CID 112684194
1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
CID 79650981
N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine
CID 114818937
methyl 3-(8-azaspiro[4.5]decan-8-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79644417
4-(8-methyl-8-azaspiro[4.5]decan-3-yl)morpholine
CID 170120812
(1-aminocyclohexyl) N-cyclohexylsulfamate
CID 87589048
N-(2,2-dicyclopentylethyl)spiro[4.4]nonane-3-sulfonamide
CID 167882856
4-(8-azaspiro[4.5]decan-3-yl)morpholine;hydrochloride
CID 169144139
1-amino-3-(2-azaspiro[4.5]decan-2-yl)cyclopentane-1-carboxamide
CID 114279513
1-amino-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentane-1-carboxamide
CID 79651841

Frequently Asked Questions

What is the IUPAC name of 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine?
The IUPAC name of 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine (CID 166276381) is 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine.
What is the SMILES notation for 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine?
The canonical SMILES for 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine is NS(=O)(=O)NC1CCN(C2CCC3(CCCC3)C2)CC1.
What is the InChIKey of 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine?
The InChIKey is JTQBYLRYGSIZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c15-20(18,19)16-12-4-9-17(10-5-12)13-3-8-14(11-13)6-1-2-7-14/h12-13,16H,1-11H2,(H2,15,18,19).
What are the key properties of 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine?
1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine has a molecular weight of 301.46 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[4.4]nonan-3-yl-4-(sulfamoylamino)piperidine is sourced from PubChem (CID 166276381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).