2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine

C10H17NS2 — CID 62579080

IUPAC2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(C)SCCNCc1cccs1
InChIInChI=1S/C10H17NS2/c1-9(2)12-7-5-11-8-10-4-3-6-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3
InChIKeyPLINSJIVVJICQV-UHFFFAOYSA-N
MW215.39 g/mol
LogP2.98
Rot. Bonds6

About 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine

2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 62579080) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID62579080
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Name2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(C)SCCNCc1cccs1
InChIInChI=1S/C10H17NS2/c1-9(2)12-7-5-11-8-10-4-3-6-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3
InChIKeyPLINSJIVVJICQV-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62583170
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
CID 123291785
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112736355

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine (CID 62579080) is 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine is CC(C)SCCNCc1cccs1.
What is the InChIKey of 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is PLINSJIVVJICQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-9(2)12-7-5-11-8-10-4-3-6-13-10/h3-4,6,9,11H,5,7-8H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 215.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 62579080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).