3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol

C10H18N2OS — CID 116911789

IUPAC3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccsc1C(C(O)CN)N(C)C
InChIInChI=1S/C10H18N2OS/c1-7-4-5-14-10(7)9(12(2)3)8(13)6-11/h4-5,8-9,13H,6,11H2,1-3H3
InChIKeyZULNJOCROIQRRF-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.98
Rot. Bonds4

About 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol

3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol (PubChem CID 116911789) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol
PubChem CID116911789
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccsc1C(C(O)CN)N(C)C
InChIInChI=1S/C10H18N2OS/c1-7-4-5-14-10(7)9(12(2)3)8(13)6-11/h4-5,8-9,13H,6,11H2,1-3H3
InChIKeyZULNJOCROIQRRF-UHFFFAOYSA-N
XLogP0.98
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116913540
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
N-(3,5-dimethylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62003890
1-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384371
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789
N-[2-(dimethylamino)ethyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 63693012
N-methyl-N-(3-methylbutan-2-yl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 43569808
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62001648
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
1-(3-methylthiophen-2-yl)hex-4-yn-1-ol
CID 104809425
1-N,1-N-dimethyl-1-(3-methylthiophen-2-yl)pentane-1,4-diamine
CID 116905642

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol (CID 116911789) is 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol is Cc1ccsc1C(C(O)CN)N(C)C.
What is the InChIKey of 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol?
The InChIKey is ZULNJOCROIQRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7-4-5-14-10(7)9(12(2)3)8(13)6-11/h4-5,8-9,13H,6,11H2,1-3H3.
What are the key properties of 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol?
3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 116911789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).