N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide

C15H30N2OS — CID 82909487

IUPACN,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1CSCCN1
InChIInChI=1S/C15H30N2OS/c1-12(2)5-8-17(9-6-13(3)4)15(18)14-11-19-10-7-16-14/h12-14,16H,5-11H2,1-4H3
InChIKeyVIVXNAMQYCGQDM-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.61
Rot. Bonds7

About N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide

N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide (PubChem CID 82909487) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
PubChem CID82909487
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC NameN,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1CSCCN1
InChIInChI=1S/C15H30N2OS/c1-12(2)5-8-17(9-6-13(3)4)15(18)14-11-19-10-7-16-14/h12-14,16H,5-11H2,1-4H3
InChIKeyVIVXNAMQYCGQDM-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82906208
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82908541
N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
CID 82908136
methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
CID 82909407
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82917729
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 82908467
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-3-carboxamide
CID 82916414
2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid
CID 82916144
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
CID 120616325
6-methyl-N,N-bis(3-methylbutyl)piperidine-2-carboxamide
CID 107869879

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide?
The IUPAC name of N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide (CID 82909487) is N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide is CC(C)CCN(CCC(C)C)C(=O)C1CSCCN1.
What is the InChIKey of N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide?
The InChIKey is VIVXNAMQYCGQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-12(2)5-8-17(9-6-13(3)4)15(18)14-11-19-10-7-16-14/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide?
N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide has a molecular weight of 286.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82909487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).