4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol

C10H23NOS — CID 154350594

IUPAC4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol
SMILESCC(C)N(CCC(C)(O)S)C(C)C
InChIInChI=1S/C10H23NOS/c1-8(2)11(9(3)4)7-6-10(5,12)13/h8-9,12-13H,6-7H2,1-5H3
InChIKeyDAMPZLRCOZLPKZ-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.13
Rot. Bonds5

About 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol

4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol (PubChem CID 154350594) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol
PubChem CID154350594
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol
SMILESCC(C)N(CCC(C)(O)S)C(C)C
InChIInChI=1S/C10H23NOS/c1-8(2)11(9(3)4)7-6-10(5,12)13/h8-9,12-13H,6-7H2,1-5H3
InChIKeyDAMPZLRCOZLPKZ-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol
CID 79361244
6-[di(propan-2-yl)amino]-3,3-dimethylhexan-2-one
CID 15317293
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
4-[tert-butyl-(3-hydroxy-3-methylbutyl)amino]-2-methylbutan-2-ol
CID 101011779
2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate
CID 134213072
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
N-[2-[di(propan-2-yl)amino]ethyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 59309380
2-[propan-2-yl(sulfanyl)amino]propane-2-thiol
CID 175552252
2-sulfanylpropane-1,1,1-triol
CID 140982540
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
2-methylbutane-1,2,3-trithiol
CID 20568486

Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol?
The IUPAC name of 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol (CID 154350594) is 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol.
What is the SMILES notation for 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol?
The canonical SMILES for 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol is CC(C)N(CCC(C)(O)S)C(C)C.
What is the InChIKey of 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol?
The InChIKey is DAMPZLRCOZLPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-8(2)11(9(3)4)7-6-10(5,12)13/h8-9,12-13H,6-7H2,1-5H3.
What are the key properties of 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol?
4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(propan-2-yl)amino]-2-sulfanylbutan-2-ol is sourced from PubChem (CID 154350594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).