N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide

C13H27N3OS — CID 82909171

IUPACN-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide
SMILESCC(C)CC(CNC(=O)C1CSCCN1)N(C)C
InChIInChI=1S/C13H27N3OS/c1-10(2)7-11(16(3)4)8-15-13(17)12-9-18-6-5-14-12/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyKDDVSKXJSIXPPZ-UHFFFAOYSA-N
MW273.45 g/mol
LogP0.78
Rot. Bonds6

About N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide

N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide (PubChem CID 82909171) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide
PubChem CID82909171
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC NameN-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide
SMILESCC(C)CC(CNC(=O)C1CSCCN1)N(C)C
InChIInChI=1S/C13H27N3OS/c1-10(2)7-11(16(3)4)8-15-13(17)12-9-18-6-5-14-12/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyKDDVSKXJSIXPPZ-UHFFFAOYSA-N
XLogP0.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-2-carboxamide
CID 113267374
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-[2-(dimethylamino)-2-phenylethyl]thiomorpholine-3-carboxamide
CID 82908479
N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide
CID 82917775
4,4-dimethyl-2-[(thiomorpholine-3-carbonylamino)methyl]pentanoic acid
CID 107475624
(3R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-3-carboxamide
CID 81141730
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[[4-(dimethylamino)phenyl]methyl]thiomorpholine-3-carboxamide
CID 82909258
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide (CID 82909171) is N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide is CC(C)CC(CNC(=O)C1CSCCN1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide?
The InChIKey is KDDVSKXJSIXPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-10(2)7-11(16(3)4)8-15-13(17)12-9-18-6-5-14-12/h10-12,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide?
N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide has a molecular weight of 273.45 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82909171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).