(1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide

C10H20FNOS — CID 129348440

IUPAC(1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESC[C@H](F)CCN1CC[S@@](=O)CC1(C)C
InChIInChI=1S/C10H20FNOS/c1-9(11)4-5-12-6-7-14(13)8-10(12,2)3/h9H,4-8H2,1-3H3/t9-,14+/m0/s1
InChIKeyBHQDSFYMSVFHDP-LKFCYVNXSA-N
MW221.34 g/mol
LogP1.58
Rot. Bonds3

About (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide

(1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 129348440) has the molecular formula C10H20FNOS and a molecular weight of 221.34 g/mol. Its IUPAC name is (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
PubChem CID129348440
Molecular FormulaC10H20FNOS
Molecular Weight221.34 g/mol
Exact Mass221.12
IUPAC Name(1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESC[C@H](F)CCN1CC[S@@](=O)CC1(C)C
InChIInChI=1S/C10H20FNOS/c1-9(11)4-5-12-6-7-14(13)8-10(12,2)3/h9H,4-8H2,1-3H3/t9-,14+/m0/s1
InChIKeyBHQDSFYMSVFHDP-LKFCYVNXSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide
CID 126767839
4-(3-Fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 126770100
4-(3-Fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 126779091
4-(3-Fluoropropyl)-3-methyl-1,4-thiazinane 1-oxide
CID 126995244
(1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide
CID 129348335
(1R)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide
CID 129348336
(1S)-4-[(3R)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 129348441
(1S)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 129348442
(1R)-4-[(3R)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 129348443
(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348666
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
(3S)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348668

Frequently Asked Questions

What is the IUPAC name of (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide (CID 129348440) is (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide is C[C@H](F)CCN1CC[S@@](=O)CC1(C)C.
What is the InChIKey of (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is BHQDSFYMSVFHDP-LKFCYVNXSA-N. The full InChI is InChI=1S/C10H20FNOS/c1-9(11)4-5-12-6-7-14(13)8-10(12,2)3/h9H,4-8H2,1-3H3/t9-,14+/m0/s1.
What are the key properties of (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide?
(1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 221.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 129348440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).