N,N-dimethyl-1-propan-2-ylsulfanylethenamine

C7H15NS — CID 146200561

IUPACN,N-dimethyl-1-propan-2-ylsulfanylethenamine
SMILESC=C(SC(C)C)N(C)C
InChIInChI=1S/C7H15NS/c1-6(2)9-7(3)8(4)5/h6H,3H2,1-2,4-5H3
InChIKeySUUFSZOIVYTLFN-UHFFFAOYSA-N
MW145.27 g/mol
LogP2.16
Rot. Bonds3

About N,N-dimethyl-1-propan-2-ylsulfanylethenamine

N,N-dimethyl-1-propan-2-ylsulfanylethenamine (PubChem CID 146200561) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylsulfanylethenamine.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-ylsulfanylethenamine
PubChem CID146200561
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN,N-dimethyl-1-propan-2-ylsulfanylethenamine
SMILESC=C(SC(C)C)N(C)C
InChIInChI=1S/C7H15NS/c1-6(2)9-7(3)8(4)5/h6H,3H2,1-2,4-5H3
InChIKeySUUFSZOIVYTLFN-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-ylsulfanylethenamine?
The IUPAC name of N,N-dimethyl-1-propan-2-ylsulfanylethenamine (CID 146200561) is N,N-dimethyl-1-propan-2-ylsulfanylethenamine.
What is the SMILES notation for N,N-dimethyl-1-propan-2-ylsulfanylethenamine?
The canonical SMILES for N,N-dimethyl-1-propan-2-ylsulfanylethenamine is C=C(SC(C)C)N(C)C.
What is the InChIKey of N,N-dimethyl-1-propan-2-ylsulfanylethenamine?
The InChIKey is SUUFSZOIVYTLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)9-7(3)8(4)5/h6H,3H2,1-2,4-5H3.
What are the key properties of N,N-dimethyl-1-propan-2-ylsulfanylethenamine?
N,N-dimethyl-1-propan-2-ylsulfanylethenamine has a molecular weight of 145.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-ylsulfanylethenamine is sourced from PubChem (CID 146200561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).