N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine

C9H19F3N2OS — CID 162576160

IUPACN-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine
SMILES[H]N=S(=O)(CCC(F)(F)F)NC(C)CCCC
InChIInChI=1S/C9H19F3N2OS/c1-3-4-5-8(2)14-16(13,15)7-6-9(10,11)12/h8H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyMRWCAFMBNDYVAI-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.07
Rot. Bonds7

About N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine

N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine (PubChem CID 162576160) has the molecular formula C9H19F3N2OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine
PubChem CID162576160
Molecular FormulaC9H19F3N2OS
Molecular Weight260.32 g/mol
Exact Mass260.12
IUPAC NameN-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine
SMILES[H]N=S(=O)(CCC(F)(F)F)NC(C)CCCC
InChIInChI=1S/C9H19F3N2OS/c1-3-4-5-8(2)14-16(13,15)7-6-9(10,11)12/h8H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyMRWCAFMBNDYVAI-UHFFFAOYSA-N
XLogP3.07
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
CID 102258354
2-methyl-N-[(2R)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
CID 102258356
N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 123840797
Rel-N-((1r,4r)-4-aminocyclohexyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 138525563
(S)-2-methyl-N-[(2S)-1,1,1-trifluorohexan-2-yl]propane-1-sulfinamide
CID 140188169
(S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide
CID 164536336
(S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide
CID 164536658
2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide
CID 167117082
2-methyl-N-(2,4,4-trifluorocyclohexyl)propane-2-sulfinamide
CID 172615364
tert-butyl-oxido-[[(3R)-6,6,6-trifluorohexan-3-yl]amino]sulfanium
CID 174013312
tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium
CID 174013313
Tert-butyl-(6,6-difluorohexan-3-ylamino)-oxidosulfanium
CID 174220292

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine?
The IUPAC name of N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine (CID 162576160) is N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine?
The canonical SMILES for N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine is [H]N=S(=O)(CCC(F)(F)F)NC(C)CCCC.
What is the InChIKey of N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine?
The InChIKey is MRWCAFMBNDYVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2OS/c1-3-4-5-8(2)14-16(13,15)7-6-9(10,11)12/h8H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine?
N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine has a molecular weight of 260.32 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropylsulfonimidoyl)hexan-2-amine is sourced from PubChem (CID 162576160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).