3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine

C12H23N3O2S2 — CID 114984252

IUPAC3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1snnc1C(C)C
InChIInChI=1S/C12H23N3O2S2/c1-5-7-13-10(6-8-19(4,16)17)12-11(9(2)3)14-15-18-12/h9-10,13H,5-8H2,1-4H3
InChIKeyMFWGVNJBHVHCAC-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.14
Rot. Bonds8

About 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine

3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine (PubChem CID 114984252) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine
PubChem CID114984252
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1snnc1C(C)C
InChIInChI=1S/C12H23N3O2S2/c1-5-7-13-10(6-8-19(4,16)17)12-11(9(2)3)14-15-18-12/h9-10,13H,5-8H2,1-4H3
InChIKeyMFWGVNJBHVHCAC-UHFFFAOYSA-N
XLogP2.14
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105080416
[3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)propyl]hydrazine
CID 114985237
1-(4-propan-2-ylthiadiazol-5-yl)-N-propylheptan-1-amine
CID 105126200
3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176818
N-[1-(4-propan-2-ylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169200
3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 114984204
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
N-[2-(3-chlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105085999
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 82730810
1-(3-bromo-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 114982999
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine (CID 114984252) is 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine is CCCNC(CCS(C)(=O)=O)c1snnc1C(C)C.
What is the InChIKey of 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine?
The InChIKey is MFWGVNJBHVHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-5-7-13-10(6-8-19(4,16)17)12-11(9(2)3)14-15-18-12/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine?
3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114984252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).