N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide

C18H35N3O4S — CID 4172086

IUPACN,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H35N3O4S/c1-15(2)13-21(14-16(3)4)26(23,24)20-7-5-17(6-8-20)18(22)19-9-11-25-12-10-19/h15-17H,5-14H2,1-4H3
InChIKeyIWNMGKIRGJEEPL-UHFFFAOYSA-N
MW389.56 g/mol
LogP1.42
Rot. Bonds7

About N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide

N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide (PubChem CID 4172086) has the molecular formula C18H35N3O4S and a molecular weight of 389.56 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide
PubChem CID4172086
Molecular FormulaC18H35N3O4S
Molecular Weight389.56 g/mol
Exact Mass389.23
IUPAC NameN,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H35N3O4S/c1-15(2)13-21(14-16(3)4)26(23,24)20-7-5-17(6-8-20)18(22)19-9-11-25-12-10-19/h15-17H,5-14H2,1-4H3
InChIKeyIWNMGKIRGJEEPL-UHFFFAOYSA-N
XLogP1.42
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.56
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide?
The IUPAC name of N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide (CID 4172086) is N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide?
The InChIKey is IWNMGKIRGJEEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O4S/c1-15(2)13-21(14-16(3)4)26(23,24)20-7-5-17(6-8-20)18(22)19-9-11-25-12-10-19/h15-17H,5-14H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide?
N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide has a molecular weight of 389.56 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-sulfonamide is sourced from PubChem (CID 4172086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).