4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide

C11H23N3OS — CID 66426330

IUPAC4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCSCC1
InChIInChI=1S/C11H23N3OS/c1-2-3-13-11(15)8-10(9-12)14-4-6-16-7-5-14/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyMPKVYECCDGSZMJ-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.28
Rot. Bonds6

About 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide

4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide (PubChem CID 66426330) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide.

Molecular Properties

Compound Name4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
PubChem CID66426330
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCSCC1
InChIInChI=1S/C11H23N3OS/c1-2-3-13-11(15)8-10(9-12)14-4-6-16-7-5-14/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyMPKVYECCDGSZMJ-UHFFFAOYSA-N
XLogP0.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
CID 66428881
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427407
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
4-amino-N-tert-butyl-3-(1,4-thiazepan-4-yl)butanamide
CID 66431637
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
3-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 106325226
tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
CID 102729505
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-amino-N-propylbutanamide
CID 82747117

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide?
The IUPAC name of 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide (CID 66426330) is 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide.
What is the SMILES notation for 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide?
The canonical SMILES for 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide is CCCNC(=O)CC(CN)N1CCSCC1.
What is the InChIKey of 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide?
The InChIKey is MPKVYECCDGSZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-2-3-13-11(15)8-10(9-12)14-4-6-16-7-5-14/h10H,2-9,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide?
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide has a molecular weight of 245.39 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide is sourced from PubChem (CID 66426330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).