N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide

C14H27N3OS — CID 106325726

IUPACN-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
SMILESCC(NCCN1CCSCC1)C(=O)NC1CCCC1
InChIInChI=1S/C14H27N3OS/c1-12(14(18)16-13-4-2-3-5-13)15-6-7-17-8-10-19-11-9-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyAMGKQQPOYWYUGE-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.07
Rot. Bonds6

About N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide

N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide (PubChem CID 106325726) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
PubChem CID106325726
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
SMILESCC(NCCN1CCSCC1)C(=O)NC1CCCC1
InChIInChI=1S/C14H27N3OS/c1-12(14(18)16-13-4-2-3-5-13)15-6-7-17-8-10-19-11-9-17/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyAMGKQQPOYWYUGE-UHFFFAOYSA-N
XLogP1.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
2-(2-thiomorpholin-4-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 106325255
ethyl 2-(2-thiomorpholin-4-ylethylamino)propanoate
CID 106325112
N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide
CID 115625436
N-cyclopentyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 115571861
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine
CID 62556728
1-cyclopentyl-3-(2-thiomorpholin-4-ylethyl)thiourea
CID 106325042
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one
CID 106325630
N-cyclopropyl-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325201
(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide
CID 95125590

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide?
The IUPAC name of N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide (CID 106325726) is N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide is CC(NCCN1CCSCC1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide?
The InChIKey is AMGKQQPOYWYUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-12(14(18)16-13-4-2-3-5-13)15-6-7-17-8-10-19-11-9-17/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide?
N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide has a molecular weight of 285.46 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 106325726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).