1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide

C15H20N2OS — CID 115447459

IUPAC1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NC2CCSc3ccccc32)CCC1
InChIInChI=1S/C15H20N2OS/c16-10-15(7-3-8-15)14(18)17-12-6-9-19-13-5-2-1-4-11(12)13/h1-2,4-5,12H,3,6-10,16H2,(H,17,18)
InChIKeySELNTJKQYNQIKI-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.47
Rot. Bonds3

About 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide (PubChem CID 115447459) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
PubChem CID115447459
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NC2CCSc3ccccc32)CCC1
InChIInChI=1S/C15H20N2OS/c16-10-15(7-3-8-15)14(18)17-12-6-9-19-13-5-2-1-4-11(12)13/h1-2,4-5,12H,3,6-10,16H2,(H,17,18)
InChIKeySELNTJKQYNQIKI-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 43697767
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CID 120920314
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
CID 79810400
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 107221770
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974332
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
(5R,7R)-3-chloro-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]adamantane-1-carboxamide
CID 98318255
(5R,7R)-3-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]adamantane-1-carboxamide
CID 99854312
4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide
CID 66249629
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide (CID 115447459) is 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide is NCC1(C(=O)NC2CCSc3ccccc32)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide?
The InChIKey is SELNTJKQYNQIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-10-15(7-3-8-15)14(18)17-12-6-9-19-13-5-2-1-4-11(12)13/h1-2,4-5,12H,3,6-10,16H2,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115447459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).