3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol

C16H29NOS2 — CID 82074564

IUPAC3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
SMILESCCCSc1ccc(C(O)CCN(CCC)CCC)s1
InChIInChI=1S/C16H29NOS2/c1-4-10-17(11-5-2)12-9-14(18)15-7-8-16(20-15)19-13-6-3/h7-8,14,18H,4-6,9-13H2,1-3H3
InChIKeyOSBJKLWITIEHNS-UHFFFAOYSA-N
MW315.55 g/mol
LogP4.80
Rot. Bonds11

About 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol

3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol (PubChem CID 82074564) has the molecular formula C16H29NOS2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
PubChem CID82074564
Molecular FormulaC16H29NOS2
Molecular Weight315.55 g/mol
Exact Mass315.17
IUPAC Name3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
SMILESCCCSc1ccc(C(O)CCN(CCC)CCC)s1
InChIInChI=1S/C16H29NOS2/c1-4-10-17(11-5-2)12-9-14(18)15-7-8-16(20-15)19-13-6-3/h7-8,14,18H,4-6,9-13H2,1-3H3
InChIKeyOSBJKLWITIEHNS-UHFFFAOYSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol (CID 82074564) is 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol is CCCSc1ccc(C(O)CCN(CCC)CCC)s1.
What is the InChIKey of 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol?
The InChIKey is OSBJKLWITIEHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS2/c1-4-10-17(11-5-2)12-9-14(18)15-7-8-16(20-15)19-13-6-3/h7-8,14,18H,4-6,9-13H2,1-3H3.
What are the key properties of 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol?
3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol has a molecular weight of 315.55 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 82074564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).