2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide

C14H28N2OS — CID 114266247

IUPAC2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide
SMILESCC(C)CN(CCOC(C)C(N)=S)C1CCCC1
InChIInChI=1S/C14H28N2OS/c1-11(2)10-16(13-6-4-5-7-13)8-9-17-12(3)14(15)18/h11-13H,4-10H2,1-3H3,(H2,15,18)
InChIKeyDEFRWEYGZYSSLH-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.58
Rot. Bonds8

About 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide

2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide (PubChem CID 114266247) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide.

Molecular Properties

Compound Name2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide
PubChem CID114266247
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide
SMILESCC(C)CN(CCOC(C)C(N)=S)C1CCCC1
InChIInChI=1S/C14H28N2OS/c1-11(2)10-16(13-6-4-5-7-13)8-9-17-12(3)14(15)18/h11-13H,4-10H2,1-3H3,(H2,15,18)
InChIKeyDEFRWEYGZYSSLH-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.58
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

3-[cyclopentyl(2-methylpropyl)amino]propanamide
CID 78983793
2-(2-cyclopropylethoxy)propanethioamide
CID 106201781
6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2-methylpropyl)cyclopentanamine
CID 102656998
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
N'-cyclohexyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 63759697
1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78983735
6-[cyclopentyl(2-methylpropyl)amino]hexan-3-ol
CID 106802461
3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide
CID 63284977
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
1-N-cyclopropyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 81101039
1-cyclohexyl-2-[cyclopentyl(2-methylpropyl)amino]ethanone
CID 104750965

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide?
The IUPAC name of 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide (CID 114266247) is 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide.
What is the SMILES notation for 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide?
The canonical SMILES for 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide is CC(C)CN(CCOC(C)C(N)=S)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide?
The InChIKey is DEFRWEYGZYSSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-11(2)10-16(13-6-4-5-7-13)8-9-17-12(3)14(15)18/h11-13H,4-10H2,1-3H3,(H2,15,18).
What are the key properties of 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide?
2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide has a molecular weight of 272.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(2-methylpropyl)amino]ethoxy]propanethioamide is sourced from PubChem (CID 114266247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).