N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

C18H26N2S — CID 106621816

IUPACN-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESc1ccc2c(c1)SCCC2N(CC1CCCCN1)C1CC1
InChIInChI=1S/C18H26N2S/c1-2-7-18-16(6-1)17(10-12-21-18)20(15-8-9-15)13-14-5-3-4-11-19-14/h1-2,6-7,14-15,17,19H,3-5,8-13H2
InChIKeyDPBGXBQCRXOGSW-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.83
Rot. Bonds4

About N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 106621816) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID106621816
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESc1ccc2c(c1)SCCC2N(CC1CCCCN1)C1CC1
InChIInChI=1S/C18H26N2S/c1-2-7-18-16(6-1)17(10-12-21-18)20(15-8-9-15)13-14-5-3-4-11-19-14/h1-2,6-7,14-15,17,19H,3-5,8-13H2
InChIKeyDPBGXBQCRXOGSW-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106622668
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106603161
3-[cyclopropyl(3,4-dihydro-2H-thiochromen-4-yl)amino]propanoic acid
CID 65055121
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635930
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine
CID 106598991
5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106598980
N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106623860
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxymethyl)piperidine
CID 79221195
N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
CID 55249309
N-cyclopropyl-2-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106599133
N-(piperidin-4-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 79696968
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618055

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 106621816) is N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is c1ccc2c(c1)SCCC2N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is DPBGXBQCRXOGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-2-7-18-16(6-1)17(10-12-21-18)20(15-8-9-15)13-14-5-3-4-11-19-14/h1-2,6-7,14-15,17,19H,3-5,8-13H2.
What are the key properties of N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 302.49 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 106621816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).