N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine

C20H32N2O3S — CID 91919097

IUPACN-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCC(C)S(=O)(=O)N1CCC2(CC1)CC(N(C)Cc1ccccc1)CCO2
InChIInChI=1S/C20H32N2O3S/c1-17(2)26(23,24)22-12-10-20(11-13-22)15-19(9-14-25-20)21(3)16-18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3
InChIKeyUGAKEDYCZLZLPA-UHFFFAOYSA-N
MW380.55 g/mol
LogP2.87
Rot. Bonds5

About N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine

N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine (PubChem CID 91919097) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
PubChem CID91919097
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCC(C)S(=O)(=O)N1CCC2(CC1)CC(N(C)Cc1ccccc1)CCO2
InChIInChI=1S/C20H32N2O3S/c1-17(2)26(23,24)22-12-10-20(11-13-22)15-19(9-14-25-20)21(3)16-18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3
InChIKeyUGAKEDYCZLZLPA-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The IUPAC name of N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine (CID 91919097) is N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine is CC(C)S(=O)(=O)N1CCC2(CC1)CC(N(C)Cc1ccccc1)CCO2.
What is the InChIKey of N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The InChIKey is UGAKEDYCZLZLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-17(2)26(23,24)22-12-10-20(11-13-22)15-19(9-14-25-20)21(3)16-18-7-5-4-6-8-18/h4-8,17,19H,9-16H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine has a molecular weight of 380.55 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 91919097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).