ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine

C9H21NS — CID 142516717

IUPACethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine
SMILESC=C(C)SNC(C)(C)C.CC
InChIInChI=1S/C7H15NS.C2H6/c1-6(2)9-8-7(3,4)5;1-2/h8H,1H2,2-5H3;1-2H3
InChIKeyKDTOBXYQZFESQA-UHFFFAOYSA-N
MW175.34 g/mol
LogP3.58
Rot. Bonds2

About ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine

ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine (PubChem CID 142516717) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Nameethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine
PubChem CID142516717
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Nameethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine
SMILESC=C(C)SNC(C)(C)C.CC
InChIInChI=1S/C7H15NS.C2H6/c1-6(2)9-8-7(3,4)5;1-2/h8H,1H2,2-5H3;1-2H3
InChIKeyKDTOBXYQZFESQA-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(prop-1-en-2-ylamino)propan-2-ol
CID 163466273
ethane;tris(2-methylprop-1-ene)
CID 144520420
3,3-dimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 126510317
2-methylprop-2-ene-1,1,1-triol
CID 14026294
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
(tert-butylamino)sulfanyl thiohypoiodite
CID 126761796
ethane;N-prop-1-en-2-ylpropan-2-amine
CID 143917378
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
1-N'-tert-butyl-1-N-methylethene-1,1-diamine
CID 88940438
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
prop-1-en-2-amine;yttrium
CID 158882655

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine?
The IUPAC name of ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine (CID 142516717) is ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine?
The canonical SMILES for ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine is C=C(C)SNC(C)(C)C.CC.
What is the InChIKey of ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine?
The InChIKey is KDTOBXYQZFESQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.C2H6/c1-6(2)9-8-7(3,4)5;1-2/h8H,1H2,2-5H3;1-2H3.
What are the key properties of ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine?
ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine has a molecular weight of 175.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-prop-1-en-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 142516717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).