1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol

C12H18N2OS — CID 115121169

IUPAC1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol
SMILESNCC(O)CNc1ccc2c(c1)CCCS2
InChIInChI=1S/C12H18N2OS/c13-7-11(15)8-14-10-3-4-12-9(6-10)2-1-5-16-12/h3-4,6,11,14-15H,1-2,5,7-8,13H2
InChIKeyMYVGISGLPCNIIO-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.46
Rot. Bonds4

About 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol

1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol (PubChem CID 115121169) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol
PubChem CID115121169
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol
SMILESNCC(O)CNc1ccc2c(c1)CCCS2
InChIInChI=1S/C12H18N2OS/c13-7-11(15)8-14-10-3-4-12-9(6-10)2-1-5-16-12/h3-4,6,11,14-15H,1-2,5,7-8,13H2
InChIKeyMYVGISGLPCNIIO-UHFFFAOYSA-N
XLogP1.46
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3,4-dihydro-2H-thiochromen-6-yl)-2-methylpropane-1,3-diamine
CID 115198310
3-amino-4-(3,4-dihydro-2H-thiochromen-6-ylamino)butanoic acid
CID 115241504
N'-(3,4-dihydro-2H-thiochromen-6-yl)propane-1,3-diamine
CID 115197135
N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115258276
N-(2-chloroethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115214647
3-N-(3,4-dihydro-2H-thiochromen-6-yl)-3-methylbutane-1,3-diamine
CID 115134491
methyl 2-(3,4-dihydro-2H-thiochromen-6-ylamino)acetate
CID 115232712
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
CID 115121170
3-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]propane-1,2-diol
CID 115122351
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115209215
1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
CID 116948767

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol?
The IUPAC name of 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol (CID 115121169) is 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol is NCC(O)CNc1ccc2c(c1)CCCS2.
What is the InChIKey of 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol?
The InChIKey is MYVGISGLPCNIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-7-11(15)8-14-10-3-4-12-9(6-10)2-1-5-16-12/h3-4,6,11,14-15H,1-2,5,7-8,13H2.
What are the key properties of 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol?
1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol has a molecular weight of 238.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol is sourced from PubChem (CID 115121169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).