formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

C19H34N2O3S — CID 153377087

IUPACformaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
SMILESC=O.CCCC(=O)Nc1sc2c(c1C)CCCC2.CNCC(C)(C)O
InChIInChI=1S/C13H19NOS.C5H13NO.CH2O/c1-3-6-12(15)14-13-9(2)10-7-4-5-8-11(10)16-13;1-5(2,7)4-6-3;1-2/h3-8H2,1-2H3,(H,14,15);6-7H,4H2,1-3H3;1H2
InChIKeyFAIAHDYZRCZWKP-UHFFFAOYSA-N
MW370.56 g/mol
LogP3.47
Rot. Bonds5

About formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide (PubChem CID 153377087) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide.

Molecular Properties

Compound Nameformaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
PubChem CID153377087
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC Nameformaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
SMILESC=O.CCCC(=O)Nc1sc2c(c1C)CCCC2.CNCC(C)(C)O
InChIInChI=1S/C13H19NOS.C5H13NO.CH2O/c1-3-6-12(15)14-13-9(2)10-7-4-5-8-11(10)16-13;1-5(2,7)4-6-3;1-2/h3-8H2,1-2H3,(H,14,15);6-7H,4H2,1-3H3;1H2
InChIKeyFAIAHDYZRCZWKP-UHFFFAOYSA-N
XLogP3.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide?
The IUPAC name of formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide (CID 153377087) is formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide.
What is the SMILES notation for formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide?
The canonical SMILES for formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide is C=O.CCCC(=O)Nc1sc2c(c1C)CCCC2.CNCC(C)(C)O.
What is the InChIKey of formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide?
The InChIKey is FAIAHDYZRCZWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS.C5H13NO.CH2O/c1-3-6-12(15)14-13-9(2)10-7-4-5-8-11(10)16-13;1-5(2,7)4-6-3;1-2/h3-8H2,1-2H3,(H,14,15);6-7H,4H2,1-3H3;1H2.
What are the key properties of formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide?
formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide has a molecular weight of 370.56 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-methyl-1-(methylamino)propan-2-ol;N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide is sourced from PubChem (CID 153377087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).