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

C14H27N3O3S — CID 120595904

IUPAC4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C14H27N3O3S/c1-19-12(9-15)8-13(18)16-10-14(2-7-21-11-14)17-3-5-20-6-4-17/h12H,2-11,15H2,1H3,(H,16,18)
InChIKeyKURCNUQJPJJTIA-UHFFFAOYSA-N
MW317.46 g/mol
LogP-0.33
Rot. Bonds7

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

4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide (PubChem CID 120595904) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide
PubChem CID120595904
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C14H27N3O3S/c1-19-12(9-15)8-13(18)16-10-14(2-7-21-11-14)17-3-5-20-6-4-17/h12H,2-11,15H2,1H3,(H,16,18)
InChIKeyKURCNUQJPJJTIA-UHFFFAOYSA-N
XLogP-0.33
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 119862791
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119862801
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 95134085
1-(3,5-dimethoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696410
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide (CID 120595904) is 4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide is COC(CN)CC(=O)NCC1(N2CCOCC2)CCSC1.
What is the InChIKey of 4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide?
The InChIKey is KURCNUQJPJJTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-19-12(9-15)8-13(18)16-10-14(2-7-21-11-14)17-3-5-20-6-4-17/h12H,2-11,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide?
4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide has a molecular weight of 317.46 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide is sourced from PubChem (CID 120595904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).