N,N-dibutylpropanethioamide

C11H23NS — CID 45118577

IUPACN,N-dibutylpropanethioamide
SMILESCCCCN(CCCC)C(=S)CC
InChIInChI=1S/C11H23NS/c1-4-7-9-12(10-8-5-2)11(13)6-3/h4-10H2,1-3H3
InChIKeyREZDWYXKGHYCQW-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.63
Rot. Bonds7

About N,N-dibutylpropanethioamide

N,N-dibutylpropanethioamide (PubChem CID 45118577) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N,N-dibutylpropanethioamide.

Molecular Properties

Compound NameN,N-dibutylpropanethioamide
PubChem CID45118577
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN,N-dibutylpropanethioamide
SMILESCCCCN(CCCC)C(=S)CC
InChIInChI=1S/C11H23NS/c1-4-7-9-12(10-8-5-2)11(13)6-3/h4-10H2,1-3H3
InChIKeyREZDWYXKGHYCQW-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-2-[2-[2-(dibutylamino)-2-sulfanylideneethoxy]ethoxy]ethanethioamide
CID 615476
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
1,1-dibutylthiourea;zinc
CID 175070562
N,N-diethylpropanethioamide
CID 638150
N,N-dibutylcarbamodithioate;ethane;nickel(2+)
CID 162055102
butyl(pentyl)carbamodithioic acid;copper
CID 174686574
3-amino-1,1-dibutylthiourea;hydrochloride
CID 131954492
2-[2-[2-(didodecylamino)-2-sulfanylideneethoxy]ethoxy]-N,N-didodecylethanethioamide
CID 3511508
dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
CID 90091780
CID 22164562
CID 22164562

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylpropanethioamide?
The IUPAC name of N,N-dibutylpropanethioamide (CID 45118577) is N,N-dibutylpropanethioamide.
What is the SMILES notation for N,N-dibutylpropanethioamide?
The canonical SMILES for N,N-dibutylpropanethioamide is CCCCN(CCCC)C(=S)CC.
What is the InChIKey of N,N-dibutylpropanethioamide?
The InChIKey is REZDWYXKGHYCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-7-9-12(10-8-5-2)11(13)6-3/h4-10H2,1-3H3.
What are the key properties of N,N-dibutylpropanethioamide?
N,N-dibutylpropanethioamide has a molecular weight of 201.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylpropanethioamide is sourced from PubChem (CID 45118577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).