3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide

C14H20N2OS — CID 115154228

IUPAC3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide
SMILESCC(N)CC(=O)NCc1ccc2c(c1)CCCS2
InChIInChI=1S/C14H20N2OS/c1-10(15)7-14(17)16-9-11-4-5-13-12(8-11)3-2-6-18-13/h4-5,8,10H,2-3,6-7,9,15H2,1H3,(H,16,17)
InChIKeyUXOPUHXBPVXMQL-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide

3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide (PubChem CID 115154228) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide
PubChem CID115154228
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide
SMILESCC(N)CC(=O)NCc1ccc2c(c1)CCCS2
InChIInChI=1S/C14H20N2OS/c1-10(15)7-14(17)16-9-11-4-5-13-12(8-11)3-2-6-18-13/h4-5,8,10H,2-3,6-7,9,15H2,1H3,(H,16,17)
InChIKeyUXOPUHXBPVXMQL-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)carbamate
CID 110786963
N-[2-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)-2-oxoethyl]benzamide
CID 110794991
2-amino-3-(3,4-dihydro-2H-thiochromen-6-ylmethylamino)propan-1-ol
CID 115120610
N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)-2-(3-phenyloxetan-3-yl)acetamide
CID 166374424
2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
CID 116847499
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)butanamide
CID 115154170
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774273
N'-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl]oxamide
CID 115192143
ethyl 2-(3,4-dihydro-2H-thiochromen-6-yl)acetate
CID 116932100

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide (CID 115154228) is 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide is CC(N)CC(=O)NCc1ccc2c(c1)CCCS2.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide?
The InChIKey is UXOPUHXBPVXMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(15)7-14(17)16-9-11-4-5-13-12(8-11)3-2-6-18-13/h4-5,8,10H,2-3,6-7,9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide?
3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide has a molecular weight of 264.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butanamide is sourced from PubChem (CID 115154228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).