2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide

C15H27N3O2S — CID 119862791

IUPAC2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
SMILESO=C(CNCC1CC1)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C15H27N3O2S/c19-14(10-16-9-13-1-2-13)17-11-15(3-8-21-12-15)18-4-6-20-7-5-18/h13,16H,1-12H2,(H,17,19)
InChIKeyZCDYHYXENHVQEB-UHFFFAOYSA-N
MW313.47 g/mol
LogP0.31
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide

2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide (PubChem CID 119862791) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
PubChem CID119862791
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
SMILESO=C(CNCC1CC1)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C15H27N3O2S/c19-14(10-16-9-13-1-2-13)17-11-15(3-8-21-12-15)18-4-6-20-7-5-18/h13,16H,1-12H2,(H,17,19)
InChIKeyZCDYHYXENHVQEB-UHFFFAOYSA-N
XLogP0.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95158483
3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
4-amino-3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide
CID 120595904
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119862801
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
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
2-methyl-1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119150946
2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682315
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55658606

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide (CID 119862791) is 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide is O=C(CNCC1CC1)NCC1(N2CCOCC2)CCSC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
The InChIKey is ZCDYHYXENHVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c19-14(10-16-9-13-1-2-13)17-11-15(3-8-21-12-15)18-4-6-20-7-5-18/h13,16H,1-12H2,(H,17,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide has a molecular weight of 313.47 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 119862791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).