N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine

C14H29NOS — CID 65164626

IUPACN-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)CSCC(C)C
InChIInChI=1S/C14H29NOS/c1-4-15-13(11-17-10-12(2)3)7-8-14-6-5-9-16-14/h12-15H,4-11H2,1-3H3
InChIKeyKMWWKXDWIRVHHJ-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.31
Rot. Bonds9

About N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine

N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine (PubChem CID 65164626) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
PubChem CID65164626
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)CSCC(C)C
InChIInChI=1S/C14H29NOS/c1-4-15-13(11-17-10-12(2)3)7-8-14-6-5-9-16-14/h12-15H,4-11H2,1-3H3
InChIKeyKMWWKXDWIRVHHJ-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167329
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
CID 104993519
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497590

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine (CID 65164626) is N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine is CCNC(CCC1CCCO1)CSCC(C)C.
What is the InChIKey of N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is KMWWKXDWIRVHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-15-13(11-17-10-12(2)3)7-8-14-6-5-9-16-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine?
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 259.46 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 65164626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).