N-ethyl-4-ethylsulfinylpentan-2-amine

C9H21NOS — CID 64704614

IUPACN-ethyl-4-ethylsulfinylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)CC
InChIInChI=1S/C9H21NOS/c1-5-10-8(3)7-9(4)12(11)6-2/h8-10H,5-7H2,1-4H3
InChIKeyYYVJAZWDAQZYHY-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.53
Rot. Bonds6

About N-ethyl-4-ethylsulfinylpentan-2-amine

N-ethyl-4-ethylsulfinylpentan-2-amine (PubChem CID 64704614) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is N-ethyl-4-ethylsulfinylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylsulfinylpentan-2-amine
PubChem CID64704614
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC NameN-ethyl-4-ethylsulfinylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)CC
InChIInChI=1S/C9H21NOS/c1-5-10-8(3)7-9(4)12(11)6-2/h8-10H,5-7H2,1-4H3
InChIKeyYYVJAZWDAQZYHY-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine
CID 107760649
N-ethyl-4-pentylsulfinylpentan-2-amine
CID 107758976
N-ethyl-4-(2-methoxyethylsulfinyl)pentan-2-amine
CID 64704822
N-propyl-4-propylsulfinylpentan-2-amine
CID 64705214
N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
CID 64704016
N-ethyl-1-propan-2-ylsulfinylpropan-2-amine
CID 64656204
4-butan-2-ylsulfinyl-N-propylpentan-2-amine
CID 64704206
4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine
CID 64704821
4-butylsulfinyl-N-methylpentan-2-amine
CID 64703029
5-(ethylamino)hexan-3-ol
CID 140740980
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-ethylpentan-2-amine
CID 115479146
ethane;2-ethylsulfinylpropane
CID 90763779

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylsulfinylpentan-2-amine?
The IUPAC name of N-ethyl-4-ethylsulfinylpentan-2-amine (CID 64704614) is N-ethyl-4-ethylsulfinylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-ethylsulfinylpentan-2-amine?
The canonical SMILES for N-ethyl-4-ethylsulfinylpentan-2-amine is CCNC(C)CC(C)S(=O)CC.
What is the InChIKey of N-ethyl-4-ethylsulfinylpentan-2-amine?
The InChIKey is YYVJAZWDAQZYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-5-10-8(3)7-9(4)12(11)6-2/h8-10H,5-7H2,1-4H3.
What are the key properties of N-ethyl-4-ethylsulfinylpentan-2-amine?
N-ethyl-4-ethylsulfinylpentan-2-amine has a molecular weight of 191.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-ethylsulfinylpentan-2-amine is sourced from PubChem (CID 64704614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).