N-ethylsulfanyl-N-propan-2-ylpropan-2-amine

C8H19NS — CID 569001

IUPACN-ethylsulfanyl-N-propan-2-ylpropan-2-amine
SMILESCCSN(C(C)C)C(C)C
InChIInChI=1S/C8H19NS/c1-6-10-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyAUHZRDQYASNPPC-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.77
Rot. Bonds4

About N-ethylsulfanyl-N-propan-2-ylpropan-2-amine

N-ethylsulfanyl-N-propan-2-ylpropan-2-amine (PubChem CID 569001) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-ethylsulfanyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethylsulfanyl-N-propan-2-ylpropan-2-amine
PubChem CID569001
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-ethylsulfanyl-N-propan-2-ylpropan-2-amine
SMILESCCSN(C(C)C)C(C)C
InChIInChI=1S/C8H19NS/c1-6-10-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyAUHZRDQYASNPPC-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diisopropylaminoethanethiol
CID 111102
[2-(Methylsulfanyl)ethyl]bis(propan-2-yl)amine
CID 13829095
2-(Diisopropylamino)ethanethiol hydrochloride
CID 3084829
1-Propanesulfenamide, N,N-dipropyl-
CID 3030905
N-Ethyl-N-(propylsulfanyl)ethanamine
CID 13142419
N-butylsulfanyl-N-ethylethanamine
CID 13152232
1-[Di(propan-2-yl)amino]ethanethiol
CID 22242606
Diisopropylamino-athanthiol-Hydrochlorid
CID 88449207
2-[Di(propan-2-yl)amino]ethanethiolate
CID 134944833
2-[Ethyl(propan-2-yl)amino]ethanethiol
CID 80014020
2-[Propan-2-yl(propyl)amino]ethanethiol
CID 80025597
2-Diisopropylaminoethyl ethyl disulfide
CID 575117

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfanyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-ethylsulfanyl-N-propan-2-ylpropan-2-amine (CID 569001) is N-ethylsulfanyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-ethylsulfanyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-ethylsulfanyl-N-propan-2-ylpropan-2-amine is CCSN(C(C)C)C(C)C.
What is the InChIKey of N-ethylsulfanyl-N-propan-2-ylpropan-2-amine?
The InChIKey is AUHZRDQYASNPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-6-10-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of N-ethylsulfanyl-N-propan-2-ylpropan-2-amine?
N-ethylsulfanyl-N-propan-2-ylpropan-2-amine has a molecular weight of 161.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfanyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 569001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).