N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C17H22N2S2 — CID 61433474

IUPACN-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCSc1ccc(C(CN)N(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C17H22N2S2/c1-20-16-6-2-14(3-7-16)17(10-18)19(15-4-5-15)11-13-8-9-21-12-13/h2-3,6-9,12,15,17H,4-5,10-11,18H2,1H3
InChIKeyZPNXDJNPCVRUBL-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.13
Rot. Bonds7

About N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 61433474) has the molecular formula C17H22N2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID61433474
Molecular FormulaC17H22N2S2
Molecular Weight318.51 g/mol
Exact Mass318.12
IUPAC NameN-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCSc1ccc(C(CN)N(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C17H22N2S2/c1-20-16-6-2-14(3-7-16)17(10-18)19(15-4-5-15)11-13-8-9-21-12-13/h2-3,6-9,12,15,17H,4-5,10-11,18H2,1H3
InChIKeyZPNXDJNPCVRUBL-UHFFFAOYSA-N
XLogP4.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433942
N-cyclopropyl-1-(3,5-difluorophenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 106528560
1-(3-bromo-4-fluorophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433901
N-cyclopropyl-N-ethyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43264029
N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433425
N-cyclopropyl-1-(5-methylfuran-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433709
N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433657
2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 61433947
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 61433474) is N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is CSc1ccc(C(CN)N(Cc2ccsc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZPNXDJNPCVRUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2/c1-20-16-6-2-14(3-7-16)17(10-18)19(15-4-5-15)11-13-8-9-21-12-13/h2-3,6-9,12,15,17H,4-5,10-11,18H2,1H3.
What are the key properties of N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 318.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61433474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).