N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine

C15H25NS — CID 23232789

IUPACN-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cccc(C)c1SCN(C(C)C)C(C)C
InChIInChI=1S/C15H25NS/c1-11(2)16(12(3)4)10-17-15-13(5)8-7-9-14(15)6/h7-9,11-12H,10H2,1-6H3
InChIKeyKWQCVDZMLXLTHU-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.47
Rot. Bonds5

About N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine

N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 23232789) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine
PubChem CID23232789
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1cccc(C)c1SCN(C(C)C)C(C)C
InChIInChI=1S/C15H25NS/c1-11(2)16(12(3)4)10-17-15-13(5)8-7-9-14(15)6/h7-9,11-12H,10H2,1-6H3
InChIKeyKWQCVDZMLXLTHU-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethylamine, N,N-diethyl-2-(o-tolylthio)-
CID 45368
Xpyuluguwrsrcu-uhfffaoysa-
CID 10262514
Carbamothioic acid, diethyl-, S-(2-methylphenyl) ester
CID 11172111
(3-methylphenyl)methyl N,N-diethylcarbamodithioate
CID 132014206
(2,4,6-trimethylphenyl) N,N-dimethylcarbamodithioate
CID 86082734
N-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfanylmethanimidoyl chloride
CID 134917334
(3,5-dimethylphenyl) N,N-diethylcarbamodithioate
CID 135043737
(2,4-dimethylphenyl) N,N-dimethylcarbamodithioate
CID 164668285
N-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)-N-propan-2-ylpropan-2-amine
CID 15729863
N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine
CID 20679144
8-methyl-3-propan-2-yl-2H-1,3-benzothiazin-3-ium
CID 21342530
3-tert-butyl-8-methyl-2H-1,3-benzothiazin-3-ium
CID 21342709

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine (CID 23232789) is N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine is Cc1cccc(C)c1SCN(C(C)C)C(C)C.
What is the InChIKey of N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is KWQCVDZMLXLTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-11(2)16(12(3)4)10-17-15-13(5)8-7-9-14(15)6/h7-9,11-12H,10H2,1-6H3.
What are the key properties of N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine?
N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)sulfanylmethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 23232789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).