1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine

C17H33N3O2S — CID 119978145

IUPAC1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1
InChIInChI=1S/C17H33N3O2S/c1-18-15-16-5-11-19(12-6-16)23(21,22)20-13-9-17(10-14-20)7-3-2-4-8-17/h16,18H,2-15H2,1H3
InChIKeyXAXRKCSPEBEHMX-UHFFFAOYSA-N
MW343.54 g/mol
LogP2.21
Rot. Bonds4

About 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine

1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 119978145) has the molecular formula C17H33N3O2S and a molecular weight of 343.54 g/mol. Its IUPAC name is 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID119978145
Molecular FormulaC17H33N3O2S
Molecular Weight343.54 g/mol
Exact Mass343.23
IUPAC Name1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1
InChIInChI=1S/C17H33N3O2S/c1-18-15-16-5-11-19(12-6-16)23(21,22)20-13-9-17(10-14-20)7-3-2-4-8-17/h16,18H,2-15H2,1H3
InChIKeyXAXRKCSPEBEHMX-UHFFFAOYSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
N-methyl-1-spiro[5.5]undecan-3-ylmethanamine
CID 83907913
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718415
N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091032
N-methyl-1-[1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977939
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087127
N-(3,3-dimethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073030
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106002916

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine (CID 119978145) is 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1.
What is the InChIKey of 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is XAXRKCSPEBEHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2S/c1-18-15-16-5-11-19(12-6-16)23(21,22)20-13-9-17(10-14-20)7-3-2-4-8-17/h16,18H,2-15H2,1H3.
What are the key properties of 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 343.54 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-azaspiro[5.5]undecan-3-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 119978145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).