4-(4-methylpentyl)morpholine-2-carbothioamide

C11H22N2OS — CID 83156168

IUPAC4-(4-methylpentyl)morpholine-2-carbothioamide
SMILESCC(C)CCCN1CCOC(C(N)=S)C1
InChIInChI=1S/C11H22N2OS/c1-9(2)4-3-5-13-6-7-14-10(8-13)11(12)15/h9-10H,3-8H2,1-2H3,(H2,12,15)
InChIKeyKKZZQUCXLATTSG-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.41
Rot. Bonds5

About 4-(4-methylpentyl)morpholine-2-carbothioamide

4-(4-methylpentyl)morpholine-2-carbothioamide (PubChem CID 83156168) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-(4-methylpentyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(4-methylpentyl)morpholine-2-carbothioamide
PubChem CID83156168
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-(4-methylpentyl)morpholine-2-carbothioamide
SMILESCC(C)CCCN1CCOC(C(N)=S)C1
InChIInChI=1S/C11H22N2OS/c1-9(2)4-3-5-13-6-7-14-10(8-13)11(12)15/h9-10H,3-8H2,1-2H3,(H2,12,15)
InChIKeyKKZZQUCXLATTSG-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
4-(3-hydroxypropyl)morpholine-2-carbothioamide
CID 79681555
4-nonylmorpholine-2-carbothioamide
CID 79681304
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-(4-phenylbutyl)morpholine-2-carbothioamide
CID 114333646
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
CID 79681740
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(4-methylpentyl)morpholine-2-carbothioamide (CID 83156168) is 4-(4-methylpentyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(4-methylpentyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(4-methylpentyl)morpholine-2-carbothioamide is CC(C)CCCN1CCOC(C(N)=S)C1.
What is the InChIKey of 4-(4-methylpentyl)morpholine-2-carbothioamide?
The InChIKey is KKZZQUCXLATTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(2)4-3-5-13-6-7-14-10(8-13)11(12)15/h9-10H,3-8H2,1-2H3,(H2,12,15).
What are the key properties of 4-(4-methylpentyl)morpholine-2-carbothioamide?
4-(4-methylpentyl)morpholine-2-carbothioamide has a molecular weight of 230.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentyl)morpholine-2-carbothioamide is sourced from PubChem (CID 83156168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).