acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine

C12H24N2OS — CID 159954033

IUPACacetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine
SMILESCC(N)=O.CCSCc1ccccc1.CN.[H][2H]
InChIInChI=1S/C9H12S.C2H5NO.CH5N.H2/c1-2-10-8-9-6-4-3-5-7-9;1-2(3)4;1-2;/h3-7H,2,8H2,1H3;1H3,(H2,3,4);2H2,1H3;1H/i;;;1+1
InChIKeyOCMFNOCCXSECBT-SGNQUONSSA-N
MW245.41 g/mol
LogP2.25
Rot. Bonds3

About acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine

acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine (PubChem CID 159954033) has the molecular formula C12H24N2OS and a molecular weight of 245.41 g/mol. Its IUPAC name is acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine.

Molecular Properties

Compound Nameacetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine
PubChem CID159954033
Molecular FormulaC12H24N2OS
Molecular Weight245.41 g/mol
Exact Mass245.17
IUPAC Nameacetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine
SMILESCC(N)=O.CCSCc1ccccc1.CN.[H][2H]
InChIInChI=1S/C9H12S.C2H5NO.CH5N.H2/c1-2-10-8-9-6-4-3-5-7-9;1-2(3)4;1-2;/h3-7H,2,8H2,1H3;1H3,(H2,3,4);2H2,1H3;1H/i;;;1+1
InChIKeyOCMFNOCCXSECBT-SGNQUONSSA-N
XLogP2.25
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
4-benzylsulfanylbutanoic acid
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S-benzyl ethanethioate;propanoic acid
CID 157378732
N-acetyl-2-benzylsulfanyl-N-methylacetamide
CID 20540314
4-benzylsulfanyl-3-methylbut-2-enoic acid
CID 76975116
2-(benzylsulfanylmethyl)butanoic acid
CID 57071820
2-[[4-(ethylsulfanylmethyl)benzoyl]amino]-3-phenylpropanoic acid
CID 119165638
4-benzylsulfanyl-2-(ethylamino)butanamide
CID 63034827
ethylbenzene;guanidine;methyl acetate
CID 174603954

Frequently Asked Questions

What is the IUPAC name of acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine?
The IUPAC name of acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine (CID 159954033) is acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine.
What is the SMILES notation for acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine?
The canonical SMILES for acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine is CC(N)=O.CCSCc1ccccc1.CN.[H][2H].
What is the InChIKey of acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine?
The InChIKey is OCMFNOCCXSECBT-SGNQUONSSA-N. The full InChI is InChI=1S/C9H12S.C2H5NO.CH5N.H2/c1-2-10-8-9-6-4-3-5-7-9;1-2(3)4;1-2;/h3-7H,2,8H2,1H3;1H3,(H2,3,4);2H2,1H3;1H/i;;;1+1.
What are the key properties of acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine?
acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine has a molecular weight of 245.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;deuterium monohydride;ethylsulfanylmethylbenzene;methanamine is sourced from PubChem (CID 159954033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).