2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol

C10H23NOS — CID 107764652

IUPAC2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol
SMILESCCCCCSCC(C)(CO)NC
InChIInChI=1S/C10H23NOS/c1-4-5-6-7-13-9-10(2,8-12)11-3/h11-12H,4-9H2,1-3H3
InChIKeyZPTLNMVZLVKWPS-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.88
Rot. Bonds8

About 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol

2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol (PubChem CID 107764652) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol
PubChem CID107764652
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol
SMILESCCCCCSCC(C)(CO)NC
InChIInChI=1S/C10H23NOS/c1-4-5-6-7-13-9-10(2,8-12)11-3/h11-12H,4-9H2,1-3H3
InChIKeyZPTLNMVZLVKWPS-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropylsulfanyl)pentadecane
CID 54178193
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
1-heptylsulfanyl-2-methylpropan-2-amine
CID 66228782
2-cyclopropyl-2-(ethylamino)-3-pentylsulfanylpropan-1-ol
CID 107764647
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849
2-amino-2-methyl-6-pentylsulfanylhexan-1-ol
CID 107764656
3-butoxy-2-methyl-2-(methylamino)propan-1-ol
CID 64807504
1,3-bis(butylsulfanyl)-2-(butylsulfanylmethyl)-2-methylpropane
CID 11602473
3-methyl-3-(methylamino)nonan-1-ol
CID 65235279
2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide
CID 107755622
3-butylsulfanyl-2-(methylamino)-2-phenylpropan-1-ol
CID 64819019
2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide
CID 107755391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol (CID 107764652) is 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol is CCCCCSCC(C)(CO)NC.
What is the InChIKey of 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol?
The InChIKey is ZPTLNMVZLVKWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-5-6-7-13-9-10(2,8-12)11-3/h11-12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol?
2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-pentylsulfanylpropan-1-ol is sourced from PubChem (CID 107764652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).