3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride

C13H27Cl2N3O2S — CID 119862806

IUPAC3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCC1(N2CCOCC2)CCSC1.Cl.Cl
InChIInChI=1S/C13H25N3O2S.2ClH/c1-11(14)8-12(17)15-9-13(2-7-19-10-13)16-3-5-18-6-4-16;;/h11H,2-10,14H2,1H3,(H,15,17);2*1H
InChIKeyHUWXIPFWWOTCQX-UHFFFAOYSA-N
MW360.35 g/mol
LogP0.89
Rot. Bonds5

About 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride

3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride (PubChem CID 119862806) has the molecular formula C13H27Cl2N3O2S and a molecular weight of 360.35 g/mol. Its IUPAC name is 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
PubChem CID119862806
Molecular FormulaC13H27Cl2N3O2S
Molecular Weight360.35 g/mol
Exact Mass359.12
IUPAC Name3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCC1(N2CCOCC2)CCSC1.Cl.Cl
InChIInChI=1S/C13H25N3O2S.2ClH/c1-11(14)8-12(17)15-9-13(2-7-19-10-13)16-3-5-18-6-4-16;;/h11H,2-10,14H2,1H3,(H,15,17);2*1H
InChIKeyHUWXIPFWWOTCQX-UHFFFAOYSA-N
XLogP0.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide
CID 120595904
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119862801
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
2-amino-2-(4-methylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide;dihydrochloride
CID 120669899
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791
2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
1-[(2S)-1-hydroxybutan-2-yl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 95139939
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
1-tert-butyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47056037
2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 55658501
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride (CID 119862806) is 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride is CC(N)CC(=O)NCC1(N2CCOCC2)CCSC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride?
The InChIKey is HUWXIPFWWOTCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S.2ClH/c1-11(14)8-12(17)15-9-13(2-7-19-10-13)16-3-5-18-6-4-16;;/h11H,2-10,14H2,1H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride?
3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride has a molecular weight of 360.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119862806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).