2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol

C12H25NOS — CID 107764771

IUPAC2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol
SMILESCNC(CO)(CSC(C)C(C)C)C1CC1
InChIInChI=1S/C12H25NOS/c1-9(2)10(3)15-8-12(7-14,13-4)11-5-6-11/h9-11,13-14H,5-8H2,1-4H3
InChIKeyVDBKHNUTTKDFJB-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.12
Rot. Bonds7

About 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol

2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol (PubChem CID 107764771) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol
PubChem CID107764771
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol
SMILESCNC(CO)(CSC(C)C(C)C)C1CC1
InChIInChI=1S/C12H25NOS/c1-9(2)10(3)15-8-12(7-14,13-4)11-5-6-11/h9-11,13-14H,5-8H2,1-4H3
InChIKeyVDBKHNUTTKDFJB-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Cyclopropylmethylamino)thiolan-3-yl]methanol
CID 61054223
4-Methyl-2-[(thiolan-3-yl)amino]pentan-1-ol
CID 61242208
4-Methyl-2-[(thian-4-yl)amino]pentan-1-ol
CID 61246708
4-Methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol
CID 61247429
[4-(Cyclopropylmethylamino)thian-4-yl]methanol
CID 61338367
4-Methyl-2-[(thian-3-yl)amino]pentan-1-ol
CID 62871291
[3-(Propan-2-ylamino)thian-3-yl]methanol
CID 62872201
[3-(Butan-2-ylamino)thian-3-yl]methanol
CID 62872202
[3-(Ethylamino)thian-3-yl]methanol
CID 62872213
[3-(Methylamino)thian-3-yl]methanol
CID 62872215
[3-(2-Methylpropylamino)thian-3-yl]methanol
CID 62872217
[3-(Propylamino)thian-3-yl]methanol
CID 62872220

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol (CID 107764771) is 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol is CNC(CO)(CSC(C)C(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol?
The InChIKey is VDBKHNUTTKDFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)10(3)15-8-12(7-14,13-4)11-5-6-11/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol?
2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 107764771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).