N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine

C11H27NS — CID 123613285

IUPACN-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine
SMILESCCCN(CCC)CCS(C)(C)C
InChIInChI=1S/C11H27NS/c1-6-8-12(9-7-2)10-11-13(3,4)5/h6-11H2,1-5H3
InChIKeyWSRMTGYHIFYEGU-UHFFFAOYSA-N
MW205.41 g/mol
LogP2.80
Rot. Bonds7

About N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine

N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine (PubChem CID 123613285) has the molecular formula C11H27NS and a molecular weight of 205.41 g/mol. Its IUPAC name is N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine
PubChem CID123613285
Molecular FormulaC11H27NS
Molecular Weight205.41 g/mol
Exact Mass205.19
IUPAC NameN-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine
SMILESCCCN(CCC)CCS(C)(C)C
InChIInChI=1S/C11H27NS/c1-6-8-12(9-7-2)10-11-13(3,4)5/h6-11H2,1-5H3
InChIKeyWSRMTGYHIFYEGU-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21315686
N,N-dipropylpropan-1-amine;pentahydrochloride
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N,N-dipropylpropan-1-amine;propane
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N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
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sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
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copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dibromide
CID 173220545
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dichloride
CID 173220390
[2-methylsulfonylethyl(propyl)amino]methanol
CID 174108429
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine
CID 62574298
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
CID 173448711

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine (CID 123613285) is N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine is CCCN(CCC)CCS(C)(C)C.
What is the InChIKey of N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine?
The InChIKey is WSRMTGYHIFYEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NS/c1-6-8-12(9-7-2)10-11-13(3,4)5/h6-11H2,1-5H3.
What are the key properties of N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine?
N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine has a molecular weight of 205.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-(trimethyl-λ4-sulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 123613285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).